2-amino-N-propylbut-2-enamide

C7H14N2O — CID 87306695

IUPAC2-amino-N-propylbut-2-enamide
SMILESCC=C(N)C(=O)NCCC
InChIInChI=1S/C7H14N2O/c1-3-5-9-7(10)6(8)4-2/h4H,3,5,8H2,1-2H3,(H,9,10)
InChIKeyTXYPMNDZLZRYDC-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.38
Rot. Bonds3

About 2-amino-N-propylbut-2-enamide

2-amino-N-propylbut-2-enamide (PubChem CID 87306695) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-amino-N-propylbut-2-enamide.

Molecular Properties

Compound Name2-amino-N-propylbut-2-enamide
PubChem CID87306695
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-amino-N-propylbut-2-enamide
SMILESCC=C(N)C(=O)NCCC
InChIInChI=1S/C7H14N2O/c1-3-5-9-7(10)6(8)4-2/h4H,3,5,8H2,1-2H3,(H,9,10)
InChIKeyTXYPMNDZLZRYDC-UHFFFAOYSA-N
XLogP0.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propylbut-2-enamide?
The IUPAC name of 2-amino-N-propylbut-2-enamide (CID 87306695) is 2-amino-N-propylbut-2-enamide.
What is the SMILES notation for 2-amino-N-propylbut-2-enamide?
The canonical SMILES for 2-amino-N-propylbut-2-enamide is CC=C(N)C(=O)NCCC.
What is the InChIKey of 2-amino-N-propylbut-2-enamide?
The InChIKey is TXYPMNDZLZRYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-5-9-7(10)6(8)4-2/h4H,3,5,8H2,1-2H3,(H,9,10).
What are the key properties of 2-amino-N-propylbut-2-enamide?
2-amino-N-propylbut-2-enamide has a molecular weight of 142.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propylbut-2-enamide is sourced from PubChem (CID 87306695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).