azane;N-ethenylpent-4-enamide

C7H14N2O — CID 88847125

IUPACazane;N-ethenylpent-4-enamide
SMILESC=CCCC(=O)NC=C.N
InChIInChI=1S/C7H11NO.H3N/c1-3-5-6-7(9)8-4-2;/h3-4H,1-2,5-6H2,(H,8,9);1H3
InChIKeyYSSPOEVOPNIDEB-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.37
Rot. Bonds4

About azane;N-ethenylpent-4-enamide

azane;N-ethenylpent-4-enamide (PubChem CID 88847125) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is azane;N-ethenylpent-4-enamide.

Molecular Properties

Compound Nameazane;N-ethenylpent-4-enamide
PubChem CID88847125
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Nameazane;N-ethenylpent-4-enamide
SMILESC=CCCC(=O)NC=C.N
InChIInChI=1S/C7H11NO.H3N/c1-3-5-6-7(9)8-4-2;/h3-4H,1-2,5-6H2,(H,8,9);1H3
InChIKeyYSSPOEVOPNIDEB-UHFFFAOYSA-N
XLogP1.37
TPSA64.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;N-ethenylpent-4-enamide?
The IUPAC name of azane;N-ethenylpent-4-enamide (CID 88847125) is azane;N-ethenylpent-4-enamide.
What is the SMILES notation for azane;N-ethenylpent-4-enamide?
The canonical SMILES for azane;N-ethenylpent-4-enamide is C=CCCC(=O)NC=C.N.
What is the InChIKey of azane;N-ethenylpent-4-enamide?
The InChIKey is YSSPOEVOPNIDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.H3N/c1-3-5-6-7(9)8-4-2;/h3-4H,1-2,5-6H2,(H,8,9);1H3.
What are the key properties of azane;N-ethenylpent-4-enamide?
azane;N-ethenylpent-4-enamide has a molecular weight of 142.20 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-ethenylpent-4-enamide is sourced from PubChem (CID 88847125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).