(E)-7-oxohept-2-enamide

C7H11NO2 — CID 153402792

IUPAC(E)-7-oxohept-2-enamide
SMILESNC(=O)/C=C/CCCC=O
InChIInChI=1S/C7H11NO2/c8-7(10)5-3-1-2-4-6-9/h3,5-6H,1-2,4H2,(H2,8,10)/b5-3+
InChIKeyVBTGJSCDGNNQAJ-HWKANZROSA-N
MW141.17 g/mol
LogP0.40
Rot. Bonds5

About (E)-7-oxohept-2-enamide

(E)-7-oxohept-2-enamide (PubChem CID 153402792) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (E)-7-oxohept-2-enamide.

Molecular Properties

Compound Name(E)-7-oxohept-2-enamide
PubChem CID153402792
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(E)-7-oxohept-2-enamide
SMILESNC(=O)/C=C/CCCC=O
InChIInChI=1S/C7H11NO2/c8-7(10)5-3-1-2-4-6-9/h3,5-6H,1-2,4H2,(H2,8,10)/b5-3+
InChIKeyVBTGJSCDGNNQAJ-HWKANZROSA-N
XLogP0.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-7-oxohept-2-enamide 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

octa-2,7-dienamide
CID 166513974
hept-2-enamide;dihydrochloride
CID 142841404
(2E,8Z)-undeca-2,8-dienamide
CID 87669666
(Z)-non-2-enamide
CID 97047009
(E)-12-amino-12-oxododec-10-enoic acid
CID 87055158
docosa-2,13-dienamide
CID 91597038
trideca-2,6-dienamide
CID 163862607
(E)-7-(diaminomethylideneamino)hept-2-enamide
CID 13273202
hydrazine;pentanedial
CID 19882033
(E)-hex-2-enamide;hydrochloride
CID 141291310
(E)-6-amino-6-oxohex-4-enoic acid
CID 15250668
3-hydroxyocta-2,6-dienediamide
CID 173137531

Frequently Asked Questions

What is the IUPAC name of (E)-7-oxohept-2-enamide?
The IUPAC name of (E)-7-oxohept-2-enamide (CID 153402792) is (E)-7-oxohept-2-enamide.
What is the SMILES notation for (E)-7-oxohept-2-enamide?
The canonical SMILES for (E)-7-oxohept-2-enamide is NC(=O)/C=C/CCCC=O.
What is the InChIKey of (E)-7-oxohept-2-enamide?
The InChIKey is VBTGJSCDGNNQAJ-HWKANZROSA-N. The full InChI is InChI=1S/C7H11NO2/c8-7(10)5-3-1-2-4-6-9/h3,5-6H,1-2,4H2,(H2,8,10)/b5-3+.
What are the key properties of (E)-7-oxohept-2-enamide?
(E)-7-oxohept-2-enamide has a molecular weight of 141.17 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-oxohept-2-enamide is sourced from PubChem (CID 153402792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).