N-cyclohexa-2,5-dien-1-ylideneacetamide

C8H8NO+ — CID 86008157

IUPACN-cyclohexa-2,5-dien-1-ylideneacetamide
SMILESCC(=O)N=C1C=C[CH+]C=C1
InChIInChI=1S/C8H8NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3/q+1
InChIKeyFYKBECLONWOAKW-UHFFFAOYSA-N
MW134.16 g/mol
LogP1.30
Rot. Bonds

About N-cyclohexa-2,5-dien-1-ylideneacetamide

N-cyclohexa-2,5-dien-1-ylideneacetamide (PubChem CID 86008157) has the molecular formula C8H8NO+ and a molecular weight of 134.16 g/mol. Its IUPAC name is N-cyclohexa-2,5-dien-1-ylideneacetamide.

Molecular Properties

Compound NameN-cyclohexa-2,5-dien-1-ylideneacetamide
PubChem CID86008157
Molecular FormulaC8H8NO+
Molecular Weight134.16 g/mol
Exact Mass134.06
IUPAC NameN-cyclohexa-2,5-dien-1-ylideneacetamide
SMILESCC(=O)N=C1C=C[CH+]C=C1
InChIInChI=1S/C8H8NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3/q+1
InChIKeyFYKBECLONWOAKW-UHFFFAOYSA-N
XLogP1.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methylpyridin-2(3H)-one
CID 13710386
N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide
CID 59850017
N-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)acetamide
CID 12416373
N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 12504459
5,6-Dimethylpyridin-2(3H)-one
CID 56972388
6-ethyl-3H-pyridin-2-one
CID 57672217
6-tert-butyl-3H-pyridin-2-one
CID 59212604
3-ethyl-6-methyl-3H-pyridin-2-one
CID 76844676
3,6-dimethyl-3H-pyridin-2-one
CID 89375060
N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 90448187
N-[(E)-hept-2-en-4-ylidene]propanamide
CID 117742259
6-Isopropylpyridin-2(3H)-one
CID 118968929

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,5-dien-1-ylideneacetamide?
The IUPAC name of N-cyclohexa-2,5-dien-1-ylideneacetamide (CID 86008157) is N-cyclohexa-2,5-dien-1-ylideneacetamide.
What is the SMILES notation for N-cyclohexa-2,5-dien-1-ylideneacetamide?
The canonical SMILES for N-cyclohexa-2,5-dien-1-ylideneacetamide is CC(=O)N=C1C=C[CH+]C=C1.
What is the InChIKey of N-cyclohexa-2,5-dien-1-ylideneacetamide?
The InChIKey is FYKBECLONWOAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3/q+1.
What are the key properties of N-cyclohexa-2,5-dien-1-ylideneacetamide?
N-cyclohexa-2,5-dien-1-ylideneacetamide has a molecular weight of 134.16 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,5-dien-1-ylideneacetamide is sourced from PubChem (CID 86008157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).