azane;pent-4-enamide

C5H12N2O — CID 88796898

IUPACazane;pent-4-enamide
SMILESC=CCCC(N)=O.N
InChIInChI=1S/C5H9NO.H3N/c1-2-3-4-5(6)7;/h2H,1,3-4H2,(H2,6,7);1H3
InChIKeyFJVJVNPDNTXBQS-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.60
Rot. Bonds3

About azane;pent-4-enamide

azane;pent-4-enamide (PubChem CID 88796898) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is azane;pent-4-enamide.

Molecular Properties

Compound Nameazane;pent-4-enamide
PubChem CID88796898
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Nameazane;pent-4-enamide
SMILESC=CCCC(N)=O.N
InChIInChI=1S/C5H9NO.H3N/c1-2-3-4-5(6)7;/h2H,1,3-4H2,(H2,6,7);1H3
InChIKeyFJVJVNPDNTXBQS-UHFFFAOYSA-N
XLogP0.60
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pent-4-enamide
CID 11815293
3-Butenamide
CID 541483
3-Methylpent-4-enamide
CID 13110692
5-Hexenamide
CID 10080368
2-Ethylbut-3-enamide
CID 57248287
Hex-4-enamide
CID 54203128
(E)-hex-4-enamide
CID 10909533
(Z)-oct-4-enediamide
CID 12458471
N-phosphanylpent-4-enamide
CID 164680858
CID 102587061
CID 102587061
4-Fluoropent-4-enamide
CID 176581597
(E)-oct-4-enediamide
CID 12458470

Frequently Asked Questions

What is the IUPAC name of azane;pent-4-enamide?
The IUPAC name of azane;pent-4-enamide (CID 88796898) is azane;pent-4-enamide.
What is the SMILES notation for azane;pent-4-enamide?
The canonical SMILES for azane;pent-4-enamide is C=CCCC(N)=O.N.
What is the InChIKey of azane;pent-4-enamide?
The InChIKey is FJVJVNPDNTXBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.H3N/c1-2-3-4-5(6)7;/h2H,1,3-4H2,(H2,6,7);1H3.
What are the key properties of azane;pent-4-enamide?
azane;pent-4-enamide has a molecular weight of 116.16 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pent-4-enamide is sourced from PubChem (CID 88796898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).