N-(3-aminopropyl)prop-2-enamide

C6H12N2O — CID 11857538

IUPACN-(3-aminopropyl)prop-2-enamide
SMILESC=CC(=O)NCCCN
InChIInChI=1S/C6H12N2O/c1-2-6(9)8-5-3-4-7/h2H,1,3-5,7H2,(H,8,9)
InChIKeyFZLUWDXMHJPGBS-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.36
Rot. Bonds4

About N-(3-aminopropyl)prop-2-enamide

N-(3-aminopropyl)prop-2-enamide (PubChem CID 11857538) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-(3-aminopropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-aminopropyl)prop-2-enamide
PubChem CID11857538
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-(3-aminopropyl)prop-2-enamide
SMILESC=CC(=O)NCCCN
InChIInChI=1S/C6H12N2O/c1-2-6(9)8-5-3-4-7/h2H,1,3-5,7H2,(H,8,9)
InChIKeyFZLUWDXMHJPGBS-UHFFFAOYSA-N
XLogP-0.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)prop-2-enamide?
The IUPAC name of N-(3-aminopropyl)prop-2-enamide (CID 11857538) is N-(3-aminopropyl)prop-2-enamide.
What is the SMILES notation for N-(3-aminopropyl)prop-2-enamide?
The canonical SMILES for N-(3-aminopropyl)prop-2-enamide is C=CC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)prop-2-enamide?
The InChIKey is FZLUWDXMHJPGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-6(9)8-5-3-4-7/h2H,1,3-5,7H2,(H,8,9).
What are the key properties of N-(3-aminopropyl)prop-2-enamide?
N-(3-aminopropyl)prop-2-enamide has a molecular weight of 128.17 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)prop-2-enamide is sourced from PubChem (CID 11857538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).