5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one

C118H123N17O8S — CID 159055928

IUPAC5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one
SMILESCC1=CNC(=O)C2CC12.Cc1ccc(=O)[nH]c1.Cc1ccc2c(c1)C=NC2.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)OCC2.Cc1ccc2oncc2c1.Cc1cccc2cc[nH]c12.Cc1cccc2cn[nH]c12.Cc1cccc2cnoc12.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nnco1
InChIInChI=1S/2C9H9N.2C9H10O.2C8H8N2.3C8H7NO.C8H7NS.C7H9NO.C6H7NO.3C6H7N.C3H4N2O/c1-7-2-3-8-5-10-6-9(8)4-7;1-7-3-2-4-8-5-6-10-9(7)8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-6-3-2-4-7-5-9-10-8(6)7;1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-3-2-4-7-5-9-10-8(6)7;2*1-6-9-7-4-2-3-5-8(7)10-6;1-4-3-8-7(9)6-2-5(4)6;1-5-2-3-6(8)7-4-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-3-5-4-2-6-3/h2-4,6H,5H2,1H3;2-6,10H,1H3;2*2-3,6H,4-5H2,1H3;2*2-5H,1H3,(H,9,10);4*2-5H,1H3;3,5-6H,2H2,1H3,(H,8,9);2-4H,1H3,(H,7,8);3*2-5H,1H3;2H,1H3
InChIKeyJXVYFKKEETZETE-UHFFFAOYSA-N
MW1939.46 g/mol
LogP26.91
Rot. Bonds

About 5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one

5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one (PubChem CID 159055928) has the molecular formula C118H123N17O8S and a molecular weight of 1939.46 g/mol. Its IUPAC name is 5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one
PubChem CID159055928
Molecular FormulaC118H123N17O8S
Molecular Weight1939.46 g/mol
Exact Mass1937.95
IUPAC Name5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one
SMILESCC1=CNC(=O)C2CC12.Cc1ccc(=O)[nH]c1.Cc1ccc2c(c1)C=NC2.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)OCC2.Cc1ccc2oncc2c1.Cc1cccc2cc[nH]c12.Cc1cccc2cn[nH]c12.Cc1cccc2cnoc12.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nnco1
InChIInChI=1S/2C9H9N.2C9H10O.2C8H8N2.3C8H7NO.C8H7NS.C7H9NO.C6H7NO.3C6H7N.C3H4N2O/c1-7-2-3-8-5-10-6-9(8)4-7;1-7-3-2-4-8-5-6-10-9(7)8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-6-3-2-4-7-5-9-10-8(6)7;1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-3-2-4-7-5-9-10-8(6)7;2*1-6-9-7-4-2-3-5-8(7)10-6;1-4-3-8-7(9)6-2-5(4)6;1-5-2-3-6(8)7-4-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-3-5-4-2-6-3/h2-4,6H,5H2,1H3;2-6,10H,1H3;2*2-3,6H,4-5H2,1H3;2*2-5H,1H3,(H,9,10);4*2-5H,1H3;3,5-6H,2H2,1H3,(H,8,9);2-4H,1H3,(H,7,8);3*2-5H,1H3;2H,1H3
InChIKeyJXVYFKKEETZETE-UHFFFAOYSA-N
XLogP26.91
TPSA334.50 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001939.46
LogP ≤ 526.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one?
The IUPAC name of 5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one (CID 159055928) is 5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one is CC1=CNC(=O)C2CC12.Cc1ccc(=O)[nH]c1.Cc1ccc2c(c1)C=NC2.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)OCC2.Cc1ccc2oncc2c1.Cc1cccc2cc[nH]c12.Cc1cccc2cn[nH]c12.Cc1cccc2cnoc12.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nnco1.
What is the InChIKey of 5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one?
The InChIKey is JXVYFKKEETZETE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H9N.2C9H10O.2C8H8N2.3C8H7NO.C8H7NS.C7H9NO.C6H7NO.3C6H7N.C3H4N2O/c1-7-2-3-8-5-10-6-9(8)4-7;1-7-3-2-4-8-5-6-10-9(7)8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-6-3-2-4-7-5-9-10-8(6)7;1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-3-2-4-7-5-9-10-8(6)7;2*1-6-9-7-4-2-3-5-8(7)10-6;1-4-3-8-7(9)6-2-5(4)6;1-5-2-3-6(8)7-4-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-3-5-4-2-6-3/h2-4,6H,5H2,1H3;2-6,10H,1H3;2*2-3,6H,4-5H2,1H3;2*2-5H,1H3,(H,9,10);4*2-5H,1H3;3,5-6H,2H2,1H3,(H,8,9);2-4H,1H3,(H,7,8);3*2-5H,1H3;2H,1H3.
What are the key properties of 5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one?
5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one has a molecular weight of 1939.46 g/mol, XLogP of 26.91, 0 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-azabicyclo[4.1.0]hept-4-en-2-one;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;5-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;7-methyl-1H-indazole;7-methyl-1H-indole;5-methyl-1H-isoindole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 159055928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).