1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole

C74H125N15OS3 — CID 159173201

IUPAC1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole
SMILESC.C.C.C.C.C.C.C.CCc1cccn1C.Cc1cc[nH]c1.Cc1ccc(C)n1C.Cc1ccc[nH]1.Cc1cccc(=O)[nH]1.Cc1cccn1C.Cc1ccn[nH]1.Cc1cncs1.Cc1cscn1.Cc1nccs1.Cn1cccc1.Cn1cccc1.Cn1ccnc1
InChIInChI=1S/2C7H11N.C6H7NO.C6H9N.4C5H7N.2C4H6N2.3C4H5NS.8CH4/c1-6-4-5-7(2)8(6)3;1-3-7-5-4-6-8(7)2;1-5-3-2-4-6(8)7-5;1-6-4-3-5-7(6)2;1-5-2-3-6-4-5;2*1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;;;;;;;;/h4-5H,1-3H3;4-6H,3H2,1-2H3;2-4H,1H3,(H,7,8);3-5H,1-2H3;2-4,6H,1H3;2*2-5H,1H3;2-4,6H,1H3;2-4H,1H3;2-3H,1H3,(H,5,6);3*2-3H,1H3;8*1H4
InChIKeyKLYHYSFFYMCWTE-UHFFFAOYSA-N
MW1337.12 g/mol
LogP20.52
Rot. Bonds1

About 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole

1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole (PubChem CID 159173201) has the molecular formula C74H125N15OS3 and a molecular weight of 1337.12 g/mol. Its IUPAC name is 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole.

Molecular Properties

Compound Name1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole
PubChem CID159173201
Molecular FormulaC74H125N15OS3
Molecular Weight1337.12 g/mol
Exact Mass1335.94
IUPAC Name1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole
SMILESC.C.C.C.C.C.C.C.CCc1cccn1C.Cc1cc[nH]c1.Cc1ccc(C)n1C.Cc1ccc[nH]1.Cc1cccc(=O)[nH]1.Cc1cccn1C.Cc1ccn[nH]1.Cc1cncs1.Cc1cscn1.Cc1nccs1.Cn1cccc1.Cn1cccc1.Cn1ccnc1
InChIInChI=1S/2C7H11N.C6H7NO.C6H9N.4C5H7N.2C4H6N2.3C4H5NS.8CH4/c1-6-4-5-7(2)8(6)3;1-3-7-5-4-6-8(7)2;1-5-3-2-4-6(8)7-5;1-6-4-3-5-7(6)2;1-5-2-3-6-4-5;2*1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;;;;;;;;/h4-5H,1-3H3;4-6H,3H2,1-2H3;2-4H,1H3,(H,7,8);3-5H,1-2H3;2-4,6H,1H3;2*2-5H,1H3;2-4,6H,1H3;2-4H,1H3;2-3H,1H3,(H,5,6);3*2-3H,1H3;8*1H4
InChIKeyKLYHYSFFYMCWTE-UHFFFAOYSA-N
XLogP20.52
TPSA174.26 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds1
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001337.12
LogP ≤ 520.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole?
The IUPAC name of 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole (CID 159173201) is 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole.
What is the SMILES notation for 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole?
The canonical SMILES for 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole is C.C.C.C.C.C.C.C.CCc1cccn1C.Cc1cc[nH]c1.Cc1ccc(C)n1C.Cc1ccc[nH]1.Cc1cccc(=O)[nH]1.Cc1cccn1C.Cc1ccn[nH]1.Cc1cncs1.Cc1cscn1.Cc1nccs1.Cn1cccc1.Cn1cccc1.Cn1ccnc1.
What is the InChIKey of 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole?
The InChIKey is KLYHYSFFYMCWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H11N.C6H7NO.C6H9N.4C5H7N.2C4H6N2.3C4H5NS.8CH4/c1-6-4-5-7(2)8(6)3;1-3-7-5-4-6-8(7)2;1-5-3-2-4-6(8)7-5;1-6-4-3-5-7(6)2;1-5-2-3-6-4-5;2*1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;;;;;;;;/h4-5H,1-3H3;4-6H,3H2,1-2H3;2-4H,1H3,(H,7,8);3-5H,1-2H3;2-4,6H,1H3;2*2-5H,1H3;2-4,6H,1H3;2-4H,1H3;2-3H,1H3,(H,5,6);3*2-3H,1H3;8*1H4.
What are the key properties of 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole?
1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole has a molecular weight of 1337.12 g/mol, XLogP of 20.52, 1 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrole;2-ethyl-1-methylpyrrole;methane;1-methylimidazole;5-methyl-1H-pyrazole;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,2,5-trimethylpyrrole is sourced from PubChem (CID 159173201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).