2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one

C14H15NO — CID 11550271

IUPAC2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one
SMILESCC1=CC(=C2C=CN(C)C=C2)C=C(C)C1=O
InChIInChI=1S/C14H15NO/c1-10-8-13(9-11(2)14(10)16)12-4-6-15(3)7-5-12/h4-9H,1-3H3
InChIKeyVMZONBKYBHSFSU-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.73
Rot. Bonds

About 2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one

2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one (PubChem CID 11550271) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one
PubChem CID11550271
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one
SMILESCC1=CC(=C2C=CN(C)C=C2)C=C(C)C1=O
InChIInChI=1S/C14H15NO/c1-10-8-13(9-11(2)14(10)16)12-4-6-15(3)7-5-12/h4-9H,1-3H3
InChIKeyVMZONBKYBHSFSU-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-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

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one?
The IUPAC name of 2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one (CID 11550271) is 2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one is CC1=CC(=C2C=CN(C)C=C2)C=C(C)C1=O.
What is the InChIKey of 2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one?
The InChIKey is VMZONBKYBHSFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-8-13(9-11(2)14(10)16)12-4-6-15(3)7-5-12/h4-9H,1-3H3.
What are the key properties of 2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one?
2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one has a molecular weight of 213.28 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 11550271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).