N-(5-oxohex-3-en-2-ylidene)acetamide

C8H11NO2 — CID 123657873

IUPACN-(5-oxohex-3-en-2-ylidene)acetamide
SMILESCC(=O)C=C/C(C)=N/C(C)=O
InChIInChI=1S/C8H11NO2/c1-6(9-8(3)11)4-5-7(2)10/h4-5H,1-3H3/b5-4?,9-6+
InChIKeyBDWRSGPXKHZSEV-YBLGFFCBSA-N
MW153.18 g/mol
LogP1.14
Rot. Bonds2

About N-(5-oxohex-3-en-2-ylidene)acetamide

N-(5-oxohex-3-en-2-ylidene)acetamide (PubChem CID 123657873) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N-(5-oxohex-3-en-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(5-oxohex-3-en-2-ylidene)acetamide
PubChem CID123657873
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN-(5-oxohex-3-en-2-ylidene)acetamide
SMILESCC(=O)C=C/C(C)=N/C(C)=O
InChIInChI=1S/C8H11NO2/c1-6(9-8(3)11)4-5-7(2)10/h4-5H,1-3H3/b5-4?,9-6+
InChIKeyBDWRSGPXKHZSEV-YBLGFFCBSA-N
XLogP1.14
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Acetimidoquinone
CID 39763
N-(3-Methyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
CID 18338381
N-acetyl-2-methyl-1,4-benzoquinone monoimine
CID 129742316
N-(3,5-difluoro-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
CID 45120212
N,N-Dimethyl-4-oxocyclohexa-2,5-dien-1-iminium
CID 12835735
4-Ethyliminocyclohexa-2,5-dien-1-one
CID 22749398
Acetyl-(4-oxocyclohexa-2,5-dien-1-ylidene)azanium
CID 59903929
methyl N-(4-oxocyclohexa-2,5-dien-1-ylidene)carbamate
CID 68101673
6-Methylpyridine-2,3-dione
CID 77708792
4-Propan-2-yliminocyclohexa-2,5-dien-1-one
CID 89368307
(E)-5-methyliminohept-3-en-2-one
CID 123464330
(Z)-5-methyliminohex-3-en-2-one
CID 143525637

Frequently Asked Questions

What is the IUPAC name of N-(5-oxohex-3-en-2-ylidene)acetamide?
The IUPAC name of N-(5-oxohex-3-en-2-ylidene)acetamide (CID 123657873) is N-(5-oxohex-3-en-2-ylidene)acetamide.
What is the SMILES notation for N-(5-oxohex-3-en-2-ylidene)acetamide?
The canonical SMILES for N-(5-oxohex-3-en-2-ylidene)acetamide is CC(=O)C=C/C(C)=N/C(C)=O.
What is the InChIKey of N-(5-oxohex-3-en-2-ylidene)acetamide?
The InChIKey is BDWRSGPXKHZSEV-YBLGFFCBSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6(9-8(3)11)4-5-7(2)10/h4-5H,1-3H3/b5-4?,9-6+.
What are the key properties of N-(5-oxohex-3-en-2-ylidene)acetamide?
N-(5-oxohex-3-en-2-ylidene)acetamide has a molecular weight of 153.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxohex-3-en-2-ylidene)acetamide is sourced from PubChem (CID 123657873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).