N-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide

C9H11NO — CID 123751971

IUPACN-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide
SMILESCC(=O)/N=C1/C=C(C)C=CC1
InChIInChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-4,6H,5H2,1-2H3/b10-9+
InChIKeySTIISTILIGAVDT-MDZDMXLPSA-N
MW149.19 g/mol
LogP1.88
Rot. Bonds

About N-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide

N-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide (PubChem CID 123751971) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide.

Molecular Properties

Compound NameN-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide
PubChem CID123751971
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide
SMILESCC(=O)/N=C1/C=C(C)C=CC1
InChIInChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-4,6H,5H2,1-2H3/b10-9+
InChIKeySTIISTILIGAVDT-MDZDMXLPSA-N
XLogP1.88
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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3-Methyl-oxoindole
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2,3-Dihydroquinolinone
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3,4-Dihydro-8-fluoro-7-methyl-2-oxo-1-benzazepine
CID 22101951
3-fluoro-3H-quinolin-2-one
CID 119086068
2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 175713856
[(6E)-6-methylimino-1-cyclohexa-2,4-dienylidene]methanone
CID 24975403
N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
CID 134893326
(6-Propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893386
(6-Tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893458

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
The IUPAC name of N-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide (CID 123751971) is N-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide.
What is the SMILES notation for N-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
The canonical SMILES for N-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide is CC(=O)/N=C1/C=C(C)C=CC1.
What is the InChIKey of N-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
The InChIKey is STIISTILIGAVDT-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-4,6H,5H2,1-2H3/b10-9+.
What are the key properties of N-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
N-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide has a molecular weight of 149.19 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexa-2,4-dien-1-ylidene)acetamide is sourced from PubChem (CID 123751971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).