N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide

C10H11NO2 — CID 134962013

IUPACN-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide
SMILESC=C1C=CC(=O)C(CNC(C)=O)=C1
InChIInChI=1S/C10H11NO2/c1-7-3-4-10(13)9(5-7)6-11-8(2)12/h3-5H,1,6H2,2H3,(H,11,12)
InChIKeyTYTPOBFILOQDCU-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.74
Rot. Bonds2

About N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide

N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide (PubChem CID 134962013) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide
PubChem CID134962013
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC NameN-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide
SMILESC=C1C=CC(=O)C(CNC(C)=O)=C1
InChIInChI=1S/C10H11NO2/c1-7-3-4-10(13)9(5-7)6-11-8(2)12/h3-5H,1,6H2,2H3,(H,11,12)
InChIKeyTYTPOBFILOQDCU-UHFFFAOYSA-N
XLogP0.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dehydro-gamma-sanshool
CID 5316465
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
N-Acetyldopamine quinone
CID 128278
N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 74405774
Dihydrocaffeiyl methyl amide quinone
CID 130250
5-Propionylpyridin-2(1H)-one
CID 89672899
N-[(3E,5E)-3-ethenyl-6-fluoro-2-oxohepta-3,5-dienyl]acetamide
CID 132038000
N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide
CID 143484621
6-(4-oxo-1H-pyridin-3-yl)-1H-pyridin-2-one
CID 15019809
N-butyl-6-oxo-1H-pyridine-3-carboxamide
CID 28826271
Isoquinoline-3,5(2h)-dione
CID 129818046
3-Acetyl-1,2-dihydropyrrol-5-one
CID 135008446

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide?
The IUPAC name of N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide (CID 134962013) is N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide?
The canonical SMILES for N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide is C=C1C=CC(=O)C(CNC(C)=O)=C1.
What is the InChIKey of N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide?
The InChIKey is TYTPOBFILOQDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-3-4-10(13)9(5-7)6-11-8(2)12/h3-5H,1,6H2,2H3,(H,11,12).
What are the key properties of N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide?
N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide has a molecular weight of 177.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide is sourced from PubChem (CID 134962013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).