3-(prop-2-enylamino)butanamide

C7H14N2O — CID 54855477

IUPAC3-(prop-2-enylamino)butanamide
SMILESC=CCNC(C)CC(N)=O
InChIInChI=1S/C7H14N2O/c1-3-4-9-6(2)5-7(8)10/h3,6,9H,1,4-5H2,2H3,(H2,8,10)
InChIKeyGEFZKNDUBOWHMJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.03
Rot. Bonds5

About 3-(prop-2-enylamino)butanamide

3-(prop-2-enylamino)butanamide (PubChem CID 54855477) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(prop-2-enylamino)butanamide.

Molecular Properties

Compound Name3-(prop-2-enylamino)butanamide
PubChem CID54855477
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-(prop-2-enylamino)butanamide
SMILESC=CCNC(C)CC(N)=O
InChIInChI=1S/C7H14N2O/c1-3-4-9-6(2)5-7(8)10/h3,6,9H,1,4-5H2,2H3,(H2,8,10)
InChIKeyGEFZKNDUBOWHMJ-UHFFFAOYSA-N
XLogP0.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.03
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 3-(prop-2-enylamino)butanamide?
The IUPAC name of 3-(prop-2-enylamino)butanamide (CID 54855477) is 3-(prop-2-enylamino)butanamide.
What is the SMILES notation for 3-(prop-2-enylamino)butanamide?
The canonical SMILES for 3-(prop-2-enylamino)butanamide is C=CCNC(C)CC(N)=O.
What is the InChIKey of 3-(prop-2-enylamino)butanamide?
The InChIKey is GEFZKNDUBOWHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-4-9-6(2)5-7(8)10/h3,6,9H,1,4-5H2,2H3,(H2,8,10).
What are the key properties of 3-(prop-2-enylamino)butanamide?
3-(prop-2-enylamino)butanamide has a molecular weight of 142.20 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enylamino)butanamide is sourced from PubChem (CID 54855477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).