ethane;(2Z)-penta-2,4-dienamide

C7H13NO — CID 143902044

IUPACethane;(2Z)-penta-2,4-dienamide
SMILESC=C/C=C\C(N)=O.CC
InChIInChI=1S/C5H7NO.C2H6/c1-2-3-4-5(6)7;1-2/h2-4H,1H2,(H2,6,7);1-2H3/b4-3-;
InChIKeyZRUMPJNBBZWPRF-LNKPDPKZSA-N
MW127.19 g/mol
LogP1.24
Rot. Bonds2

About ethane;(2Z)-penta-2,4-dienamide

ethane;(2Z)-penta-2,4-dienamide (PubChem CID 143902044) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is ethane;(2Z)-penta-2,4-dienamide.

Molecular Properties

Compound Nameethane;(2Z)-penta-2,4-dienamide
PubChem CID143902044
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Nameethane;(2Z)-penta-2,4-dienamide
SMILESC=C/C=C\C(N)=O.CC
InChIInChI=1S/C5H7NO.C2H6/c1-2-3-4-5(6)7;1-2/h2-4H,1H2,(H2,6,7);1-2H3/b4-3-;
InChIKeyZRUMPJNBBZWPRF-LNKPDPKZSA-N
XLogP1.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(2Z)-penta-2,4-dienamide 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

(2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide
CID 118357992
4-amino-4-oxobut-2-enoic acid;buta-1,3-diene
CID 173116521
(2Z)-N,N-dimethylpenta-2,4-dienamide;ethane
CID 143678790
(E)-but-2-enamide;ethane
CID 145356551
(2E,4E)-hexa-2,4-dienamide;phosphane
CID 175915492
(2Z,4Z)-2-phosphanylhepta-2,4,6-trien-3-amine
CID 139493202
(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
CID 142405932
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853
ethane-1,2-diamine;bis(penta-2,4-dienoic acid)
CID 175419626
6,6,6-trifluorohexa-2,4-dienamide
CID 54073864
methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate
CID 15562430
methanamine;prop-2-enamide;hydrate
CID 174696935

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-penta-2,4-dienamide?
The IUPAC name of ethane;(2Z)-penta-2,4-dienamide (CID 143902044) is ethane;(2Z)-penta-2,4-dienamide.
What is the SMILES notation for ethane;(2Z)-penta-2,4-dienamide?
The canonical SMILES for ethane;(2Z)-penta-2,4-dienamide is C=C/C=C\C(N)=O.CC.
What is the InChIKey of ethane;(2Z)-penta-2,4-dienamide?
The InChIKey is ZRUMPJNBBZWPRF-LNKPDPKZSA-N. The full InChI is InChI=1S/C5H7NO.C2H6/c1-2-3-4-5(6)7;1-2/h2-4H,1H2,(H2,6,7);1-2H3/b4-3-;.
What are the key properties of ethane;(2Z)-penta-2,4-dienamide?
ethane;(2Z)-penta-2,4-dienamide has a molecular weight of 127.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-penta-2,4-dienamide is sourced from PubChem (CID 143902044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).