3-amino-N-prop-2-enylbutanamide

C7H14N2O — CID 60837155

IUPAC3-amino-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CC(C)N
InChIInChI=1S/C7H14N2O/c1-3-4-9-7(10)5-6(2)8/h3,6H,1,4-5,8H2,2H3,(H,9,10)
InChIKeyGZDVZBGZDOKZPF-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.03
Rot. Bonds4

About 3-amino-N-prop-2-enylbutanamide

3-amino-N-prop-2-enylbutanamide (PubChem CID 60837155) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-amino-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name3-amino-N-prop-2-enylbutanamide
PubChem CID60837155
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-amino-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CC(C)N
InChIInChI=1S/C7H14N2O/c1-3-4-9-7(10)5-6(2)8/h3,6H,1,4-5,8H2,2H3,(H,9,10)
InChIKeyGZDVZBGZDOKZPF-UHFFFAOYSA-N
XLogP0.03
TPSA55.12 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 ≤ 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-amino-N-prop-2-enylbutanamide?
The IUPAC name of 3-amino-N-prop-2-enylbutanamide (CID 60837155) is 3-amino-N-prop-2-enylbutanamide.
What is the SMILES notation for 3-amino-N-prop-2-enylbutanamide?
The canonical SMILES for 3-amino-N-prop-2-enylbutanamide is C=CCNC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-prop-2-enylbutanamide?
The InChIKey is GZDVZBGZDOKZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-4-9-7(10)5-6(2)8/h3,6H,1,4-5,8H2,2H3,(H,9,10).
What are the key properties of 3-amino-N-prop-2-enylbutanamide?
3-amino-N-prop-2-enylbutanamide has a molecular weight of 142.20 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-prop-2-enylbutanamide is sourced from PubChem (CID 60837155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).