7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile

C19H19NO2 — CID 141388709

IUPAC7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile
SMILESCOc1ccc2ccc(C#N)cc2c1C[C@@H]1CCCCC1=O
InChIInChI=1S/C19H19NO2/c1-22-19-9-8-14-7-6-13(12-20)10-16(14)17(19)11-15-4-2-3-5-18(15)21/h6-10,15H,2-5,11H2,1H3/t15-/m0/s1
InChIKeyNTQAXIUCVFNZMY-HNNXBMFYSA-N
MW293.37 g/mol
LogP4.02
Rot. Bonds3

About 7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile

7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile (PubChem CID 141388709) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile
PubChem CID141388709
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile
SMILESCOc1ccc2ccc(C#N)cc2c1C[C@@H]1CCCCC1=O
InChIInChI=1S/C19H19NO2/c1-22-19-9-8-14-7-6-13(12-20)10-16(14)17(19)11-15-4-2-3-5-18(15)21/h6-10,15H,2-5,11H2,1H3/t15-/m0/s1
InChIKeyNTQAXIUCVFNZMY-HNNXBMFYSA-N
XLogP4.02
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile 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 7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile?
The IUPAC name of 7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile (CID 141388709) is 7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile.
What is the SMILES notation for 7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile?
The canonical SMILES for 7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile is COc1ccc2ccc(C#N)cc2c1C[C@@H]1CCCCC1=O.
What is the InChIKey of 7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile?
The InChIKey is NTQAXIUCVFNZMY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-22-19-9-8-14-7-6-13(12-20)10-16(14)17(19)11-15-4-2-3-5-18(15)21/h6-10,15H,2-5,11H2,1H3/t15-/m0/s1.
What are the key properties of 7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile?
7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile is sourced from PubChem (CID 141388709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).