N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide

C9H11NO — CID 90448187

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

About N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide

N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide (PubChem CID 90448187) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide.

Molecular Properties

Compound NameN-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide
PubChem CID90448187
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide
SMILESCC(=O)/N=C1\C=CC=C(C)C1
InChIInChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-5H,6H2,1-2H3/b10-9+
InChIKeyPYPNAYLGKWPBFU-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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Frequently Asked Questions

What is the IUPAC name of N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
The IUPAC name of N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide (CID 90448187) is N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide.
What is the SMILES notation for N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
The canonical SMILES for N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide is CC(=O)/N=C1\C=CC=C(C)C1.
What is the InChIKey of N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
The InChIKey is PYPNAYLGKWPBFU-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-5H,6H2,1-2H3/b10-9+.
What are the key properties of N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
N-(5-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-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide is sourced from PubChem (CID 90448187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).