methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate

C12H13NO3 — CID 123511174

IUPACmethyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)C1CC(N=O)c2ccc(C)cc21
InChIInChI=1S/C12H13NO3/c1-7-3-4-8-9(5-7)10(12(14)16-2)6-11(8)13-15/h3-5,10-11H,6H2,1-2H3
InChIKeyNZCKHXNGPBSYEU-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.46
Rot. Bonds2

About methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate

methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 123511174) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID123511174
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)C1CC(N=O)c2ccc(C)cc21
InChIInChI=1S/C12H13NO3/c1-7-3-4-8-9(5-7)10(12(14)16-2)6-11(8)13-15/h3-5,10-11H,6H2,1-2H3
InChIKeyNZCKHXNGPBSYEU-UHFFFAOYSA-N
XLogP2.46
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate 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 methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate (CID 123511174) is methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate is COC(=O)C1CC(N=O)c2ccc(C)cc21.
What is the InChIKey of methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is NZCKHXNGPBSYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-3-4-8-9(5-7)10(12(14)16-2)6-11(8)13-15/h3-5,10-11H,6H2,1-2H3.
What are the key properties of methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 123511174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).