2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one

C12H14O — CID 159578840

IUPAC2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one
SMILESCC(C)=Cc1cccc(C)c(=O)c1
InChIInChI=1S/C12H14O/c1-9(2)7-11-6-4-5-10(3)12(13)8-11/h4-8H,1-3H3
InChIKeyUTQZDBKRIIFNKR-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.78
Rot. Bonds1

About 2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one

2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one (PubChem CID 159578840) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one
PubChem CID159578840
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one
SMILESCC(C)=Cc1cccc(C)c(=O)c1
InChIInChI=1S/C12H14O/c1-9(2)7-11-6-4-5-10(3)12(13)8-11/h4-8H,1-3H3
InChIKeyUTQZDBKRIIFNKR-UHFFFAOYSA-N
XLogP2.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one 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

2-hydroxy-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one
CID 158650341
6-[(E)-but-1-enyl]-2-methylcyclohepta-2,4,6-trien-1-one
CID 158063432
3-(2-methylprop-1-enyl)benzoic acid
CID 144799452
methyl 3-[3-(2-methylprop-1-enyl)phenyl]prop-2-enoate
CID 139611465
1-ethoxy-3-(2-methylprop-1-enyl)benzene
CID 139695062
(E)-1-(2-methylphenyl)-3-[3-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 58692940
3-methyl-4-(3-methylphenyl)but-3-en-2-one
CID 67408279
2,6-dimethyl-4-(2-methylprop-1-enyl)phenol
CID 54502544
1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene
CID 134266599
1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene
CID 170196705
1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 18968417
1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
CID 606421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one (CID 159578840) is 2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one is CC(C)=Cc1cccc(C)c(=O)c1.
What is the InChIKey of 2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one?
The InChIKey is UTQZDBKRIIFNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9(2)7-11-6-4-5-10(3)12(13)8-11/h4-8H,1-3H3.
What are the key properties of 2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one?
2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one has a molecular weight of 174.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 159578840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).