azane;2-methylidenepent-4-enamide

C6H12N2O — CID 87195427

IUPACazane;2-methylidenepent-4-enamide
SMILESC=CCC(=C)C(N)=O.N
InChIInChI=1S/C6H9NO.H3N/c1-3-4-5(2)6(7)8;/h3H,1-2,4H2,(H2,7,8);1H3
InChIKeyGXQBESVFAZGLIV-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.77
Rot. Bonds3

About azane;2-methylidenepent-4-enamide

azane;2-methylidenepent-4-enamide (PubChem CID 87195427) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is azane;2-methylidenepent-4-enamide.

Molecular Properties

Compound Nameazane;2-methylidenepent-4-enamide
PubChem CID87195427
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Nameazane;2-methylidenepent-4-enamide
SMILESC=CCC(=C)C(N)=O.N
InChIInChI=1S/C6H9NO.H3N/c1-3-4-5(2)6(7)8;/h3H,1-2,4H2,(H2,7,8);1H3
InChIKeyGXQBESVFAZGLIV-UHFFFAOYSA-N
XLogP0.77
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azane;2-methylidenepent-4-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

2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol
CID 174416041
sodium;2-methylidenepent-4-enamide;prop-2-ene-1-sulfonate
CID 175518990
ethene;2-methylidenepent-4-enoic acid
CID 174232070
carbamoyl 2-methylidenepent-4-eneperoxoate
CID 87501876
2-(aminomethyl)prop-2-enamide
CID 19089601
2-methylidenebutanamide;prop-2-en-1-amine;hydrochloride
CID 175534488
sodium;but-3-enamide;hydride
CID 175440454
sulfino 2-methylidenepent-4-enoate
CID 122573770
nona-1,8-diene-4,6-dione
CID 88861984
(213C)pent-4-en-2-one
CID 173180315
but-1-ene;urea
CID 87757370
azane;prop-2-enyl but-3-enoate
CID 88514758

Frequently Asked Questions

What is the IUPAC name of azane;2-methylidenepent-4-enamide?
The IUPAC name of azane;2-methylidenepent-4-enamide (CID 87195427) is azane;2-methylidenepent-4-enamide.
What is the SMILES notation for azane;2-methylidenepent-4-enamide?
The canonical SMILES for azane;2-methylidenepent-4-enamide is C=CCC(=C)C(N)=O.N.
What is the InChIKey of azane;2-methylidenepent-4-enamide?
The InChIKey is GXQBESVFAZGLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.H3N/c1-3-4-5(2)6(7)8;/h3H,1-2,4H2,(H2,7,8);1H3.
What are the key properties of azane;2-methylidenepent-4-enamide?
azane;2-methylidenepent-4-enamide has a molecular weight of 128.17 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methylidenepent-4-enamide is sourced from PubChem (CID 87195427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).