1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile

C15H17NO2 — CID 116921550

IUPAC1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile
SMILESCOc1cc(C)cc(C)c1C(=O)C1(C#N)CCC1
InChIInChI=1S/C15H17NO2/c1-10-7-11(2)13(12(8-10)18-3)14(17)15(9-16)5-4-6-15/h7-8H,4-6H2,1-3H3
InChIKeyALEVSYPAQQUVLG-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.19
Rot. Bonds3

About 1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile

1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile (PubChem CID 116921550) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile
PubChem CID116921550
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile
SMILESCOc1cc(C)cc(C)c1C(=O)C1(C#N)CCC1
InChIInChI=1S/C15H17NO2/c1-10-7-11(2)13(12(8-10)18-3)14(17)15(9-16)5-4-6-15/h7-8H,4-6H2,1-3H3
InChIKeyALEVSYPAQQUVLG-UHFFFAOYSA-N
XLogP3.19
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,4,6-trimethoxybenzoyl)cyclopropane-1-carbonitrile
CID 116920867
1-(4-tert-butyl-2,6-dimethylbenzoyl)cyclobutane-1-carbonitrile
CID 116921532
3-(2,4-dimethoxy-6-methylbenzoyl)oxetane-3-carbonitrile
CID 116922317
(1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681952
1-(4,5-dimethoxy-2-methylbenzoyl)cyclopropane-1-carbonitrile
CID 116920860
1-(4-methoxy-2,3,5-trimethylbenzoyl)cyclobutane-1-carbonitrile
CID 116921529
1-(4-methoxybenzoyl)cyclobutane-1-carbonitrile
CID 116921475
(2-methoxy-4,6-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982144
1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 29240891
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106682017
1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 78994979

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile (CID 116921550) is 1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile is COc1cc(C)cc(C)c1C(=O)C1(C#N)CCC1.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile?
The InChIKey is ALEVSYPAQQUVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-7-11(2)13(12(8-10)18-3)14(17)15(9-16)5-4-6-15/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile?
1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 116921550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).