N-(2-aminoethylidene)propanamide

C5H10N2O — CID 174828252

IUPACN-(2-aminoethylidene)propanamide
SMILESCCC(=O)/N=C/CN
InChIInChI=1S/C5H10N2O/c1-2-5(8)7-4-3-6/h4H,2-3,6H2,1H3/b7-4+
InChIKeyCURUJAXMSHUBQA-QPJJXVBHSA-N
MW114.15 g/mol
LogP-0.05
Rot. Bonds2

About N-(2-aminoethylidene)propanamide

N-(2-aminoethylidene)propanamide (PubChem CID 174828252) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-(2-aminoethylidene)propanamide.

Molecular Properties

Compound NameN-(2-aminoethylidene)propanamide
PubChem CID174828252
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-(2-aminoethylidene)propanamide
SMILESCCC(=O)/N=C/CN
InChIInChI=1S/C5H10N2O/c1-2-5(8)7-4-3-6/h4H,2-3,6H2,1H3/b7-4+
InChIKeyCURUJAXMSHUBQA-QPJJXVBHSA-N
XLogP-0.05
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Aminomethylimino)-2-fluoropropanamide
CID 123700486
3-imino-N-methylidenepropanamide
CID 20646586
N-(2-aminoethylidene)acetamide
CID 20719069
3-Methyliminopropanamide
CID 54297229
2-Methyl-3-methyliminopropanamide
CID 54367566
2-Propan-2-yliminoacetamide
CID 55291127
4-Acetyliminobutanamide
CID 57228696
2-(2-Aminoethylimino)propanamide
CID 57269019
Acetyl(ethylidene)azanium
CID 59317651
N-(deuteriomethylidene)-3-iminopropanamide
CID 59952858
N-methyl-3-methyliminopropanamide
CID 90245443
3-Ethylimino-2-methylpropanamide
CID 90794019

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethylidene)propanamide?
The IUPAC name of N-(2-aminoethylidene)propanamide (CID 174828252) is N-(2-aminoethylidene)propanamide.
What is the SMILES notation for N-(2-aminoethylidene)propanamide?
The canonical SMILES for N-(2-aminoethylidene)propanamide is CCC(=O)/N=C/CN.
What is the InChIKey of N-(2-aminoethylidene)propanamide?
The InChIKey is CURUJAXMSHUBQA-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-5(8)7-4-3-6/h4H,2-3,6H2,1H3/b7-4+.
What are the key properties of N-(2-aminoethylidene)propanamide?
N-(2-aminoethylidene)propanamide has a molecular weight of 114.15 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethylidene)propanamide is sourced from PubChem (CID 174828252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).