2-(aminomethyl)prop-2-enamide

C4H8N2O — CID 19089601

IUPAC2-(aminomethyl)prop-2-enamide
SMILESC=C(CN)C(N)=O
InChIInChI=1S/C4H8N2O/c1-3(2-5)4(6)7/h1-2,5H2,(H2,6,7)
InChIKeyRAEHXSKHKLIQRE-UHFFFAOYSA-N
MW100.12 g/mol
LogP-1.01
Rot. Bonds2

About 2-(aminomethyl)prop-2-enamide

2-(aminomethyl)prop-2-enamide (PubChem CID 19089601) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-(aminomethyl)prop-2-enamide.

Molecular Properties

Compound Name2-(aminomethyl)prop-2-enamide
PubChem CID19089601
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name2-(aminomethyl)prop-2-enamide
SMILESC=C(CN)C(N)=O
InChIInChI=1S/C4H8N2O/c1-3(2-5)4(6)7/h1-2,5H2,(H2,6,7)
InChIKeyRAEHXSKHKLIQRE-UHFFFAOYSA-N
XLogP-1.01
TPSA69.11 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 ≤ 5-1.01
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-(aminomethyl)prop-2-enamide?
The IUPAC name of 2-(aminomethyl)prop-2-enamide (CID 19089601) is 2-(aminomethyl)prop-2-enamide.
What is the SMILES notation for 2-(aminomethyl)prop-2-enamide?
The canonical SMILES for 2-(aminomethyl)prop-2-enamide is C=C(CN)C(N)=O.
What is the InChIKey of 2-(aminomethyl)prop-2-enamide?
The InChIKey is RAEHXSKHKLIQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3(2-5)4(6)7/h1-2,5H2,(H2,6,7).
What are the key properties of 2-(aminomethyl)prop-2-enamide?
2-(aminomethyl)prop-2-enamide has a molecular weight of 100.12 g/mol, XLogP of -1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)prop-2-enamide is sourced from PubChem (CID 19089601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).