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

C12H11NO — CID 71344755

IUPAC4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one
SMILESCN1C=CC(=C2C=CC(=O)C=C2)C=C1
InChIInChI=1S/C12H11NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-9H,1H3
InChIKeyJXVBLESYBMPMGJ-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.95
Rot. Bonds

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

4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one (PubChem CID 71344755) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one
PubChem CID71344755
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one
SMILESCN1C=CC(=C2C=CC(=O)C=C2)C=C1
InChIInChI=1S/C12H11NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-9H,1H3
InChIKeyJXVBLESYBMPMGJ-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one (CID 71344755) is 4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one is CN1C=CC(=C2C=CC(=O)C=C2)C=C1.
What is the InChIKey of 4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one?
The InChIKey is JXVBLESYBMPMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-9H,1H3.
What are the key properties of 4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one?
4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one has a molecular weight of 185.23 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 71344755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).