2-amino-N-cyanopropanamide

C4H7N3O — CID 79205051

IUPAC2-amino-N-cyanopropanamide
SMILESCC(N)C(=O)NC#N
InChIInChI=1S/C4H7N3O/c1-3(6)4(8)7-2-5/h3H,6H2,1H3,(H,7,8)
InChIKeyCEYFRKVDYVSBBT-UHFFFAOYSA-N
MW113.12 g/mol
LogP-1.07
Rot. Bonds1

About 2-amino-N-cyanopropanamide

2-amino-N-cyanopropanamide (PubChem CID 79205051) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-amino-N-cyanopropanamide.

Molecular Properties

Compound Name2-amino-N-cyanopropanamide
PubChem CID79205051
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name2-amino-N-cyanopropanamide
SMILESCC(N)C(=O)NC#N
InChIInChI=1S/C4H7N3O/c1-3(6)4(8)7-2-5/h3H,6H2,1H3,(H,7,8)
InChIKeyCEYFRKVDYVSBBT-UHFFFAOYSA-N
XLogP-1.07
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-cyano-2-(methylamino)propanamide
CID 79203267
2-amino-N-cyanopentanamide
CID 79195129
2-(aminomethyl)-N-cyano-3-methylbutanamide
CID 79193980
N-cyano-2-methylsulfonylpropanamide
CID 104520389
5-amino-N-cyanohexanamide
CID 82852451
N-cyano-2-methyl-3-methylsulfanylpropanamide
CID 130485966
(2S)-2-amino-N-cyano-4-methylsulfanylbutanamide
CID 79193616
2-amino-N-(3-cyanopropyl)propanamide
CID 62666254
(2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide
CID 62093737
(2R)-2-amino-N-(2-cyanopropyl)propanamide
CID 78991396
2-amino-N-(1-cyanobutan-2-yl)propanamide
CID 62647087
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyanopropanamide?
The IUPAC name of 2-amino-N-cyanopropanamide (CID 79205051) is 2-amino-N-cyanopropanamide.
What is the SMILES notation for 2-amino-N-cyanopropanamide?
The canonical SMILES for 2-amino-N-cyanopropanamide is CC(N)C(=O)NC#N.
What is the InChIKey of 2-amino-N-cyanopropanamide?
The InChIKey is CEYFRKVDYVSBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-3(6)4(8)7-2-5/h3H,6H2,1H3,(H,7,8).
What are the key properties of 2-amino-N-cyanopropanamide?
2-amino-N-cyanopropanamide has a molecular weight of 113.12 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyanopropanamide is sourced from PubChem (CID 79205051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).