N-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide

C10H11NO2 — CID 163563334

IUPACN-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide
SMILESCC(=O)/N=C1/C=CC(C(C)=O)=CC1
InChIInChI=1S/C10H11NO2/c1-7(12)9-3-5-10(6-4-9)11-8(2)13/h3-5H,6H2,1-2H3/b11-10-
InChIKeyFTCZIKSGJURYTC-KHPPLWFESA-N
MW177.20 g/mol
LogP1.45
Rot. Bonds1

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

N-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide (PubChem CID 163563334) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide.

Molecular Properties

Compound NameN-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide
PubChem CID163563334
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC NameN-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide
SMILESCC(=O)/N=C1/C=CC(C(C)=O)=CC1
InChIInChI=1S/C10H11NO2/c1-7(12)9-3-5-10(6-4-9)11-8(2)13/h3-5H,6H2,1-2H3/b11-10-
InChIKeyFTCZIKSGJURYTC-KHPPLWFESA-N
XLogP1.45
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide?
The IUPAC name of N-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide (CID 163563334) is N-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide.
What is the SMILES notation for N-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide?
The canonical SMILES for N-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide is CC(=O)/N=C1/C=CC(C(C)=O)=CC1.
What is the InChIKey of N-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide?
The InChIKey is FTCZIKSGJURYTC-KHPPLWFESA-N. The full InChI is InChI=1S/C10H11NO2/c1-7(12)9-3-5-10(6-4-9)11-8(2)13/h3-5H,6H2,1-2H3/b11-10-.
What are the key properties of N-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide?
N-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide has a molecular weight of 177.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylcyclohexa-2,4-dien-1-ylidene)acetamide is sourced from PubChem (CID 163563334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).