N-(1-aminoethylidene)propanamide

C5H10N2O — CID 87476740

IUPACN-(1-aminoethylidene)propanamide
SMILESCCC(=O)/N=C(\C)N
InChIInChI=1S/C5H10N2O/c1-3-5(8)7-4(2)6/h3H2,1-2H3,(H2,6,7,8)
InChIKeyJWGGPHXDBIFJES-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.30
Rot. Bonds1

About N-(1-aminoethylidene)propanamide

N-(1-aminoethylidene)propanamide (PubChem CID 87476740) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-(1-aminoethylidene)propanamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)propanamide
PubChem CID87476740
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-(1-aminoethylidene)propanamide
SMILESCCC(=O)/N=C(\C)N
InChIInChI=1S/C5H10N2O/c1-3-5(8)7-4(2)6/h3H2,1-2H3,(H2,6,7,8)
InChIKeyJWGGPHXDBIFJES-UHFFFAOYSA-N
XLogP0.30
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)propanamide?
The IUPAC name of N-(1-aminoethylidene)propanamide (CID 87476740) is N-(1-aminoethylidene)propanamide.
What is the SMILES notation for N-(1-aminoethylidene)propanamide?
The canonical SMILES for N-(1-aminoethylidene)propanamide is CCC(=O)/N=C(\C)N.
What is the InChIKey of N-(1-aminoethylidene)propanamide?
The InChIKey is JWGGPHXDBIFJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-5(8)7-4(2)6/h3H2,1-2H3,(H2,6,7,8).
What are the key properties of N-(1-aminoethylidene)propanamide?
N-(1-aminoethylidene)propanamide has a molecular weight of 114.15 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)propanamide is sourced from PubChem (CID 87476740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).