N-(aminomethyl)prop-2-enamide

C4H8N2O — CID 14028971

IUPACN-(aminomethyl)prop-2-enamide
SMILESC=CC(=O)NCN
InChIInChI=1S/C4H8N2O/c1-2-4(7)6-3-5/h2H,1,3,5H2,(H,6,7)
InChIKeyLJGXNCLPWGNTGE-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.80
Rot. Bonds2

About N-(aminomethyl)prop-2-enamide

N-(aminomethyl)prop-2-enamide (PubChem CID 14028971) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is N-(aminomethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(aminomethyl)prop-2-enamide
PubChem CID14028971
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC NameN-(aminomethyl)prop-2-enamide
SMILESC=CC(=O)NCN
InChIInChI=1S/C4H8N2O/c1-2-4(7)6-3-5/h2H,1,3,5H2,(H,6,7)
InChIKeyLJGXNCLPWGNTGE-UHFFFAOYSA-N
XLogP-0.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(aminomethyl)prop-2-enamide?
The IUPAC name of N-(aminomethyl)prop-2-enamide (CID 14028971) is N-(aminomethyl)prop-2-enamide.
What is the SMILES notation for N-(aminomethyl)prop-2-enamide?
The canonical SMILES for N-(aminomethyl)prop-2-enamide is C=CC(=O)NCN.
What is the InChIKey of N-(aminomethyl)prop-2-enamide?
The InChIKey is LJGXNCLPWGNTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-2-4(7)6-3-5/h2H,1,3,5H2,(H,6,7).
What are the key properties of N-(aminomethyl)prop-2-enamide?
N-(aminomethyl)prop-2-enamide has a molecular weight of 100.12 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)prop-2-enamide is sourced from PubChem (CID 14028971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).