3-amino-N-carbamoyl-2-methylprop-2-enamide

C5H9N3O2 — CID 155928086

IUPAC3-amino-N-carbamoyl-2-methylprop-2-enamide
SMILESCC(=CN)C(=O)NC(N)=O
InChIInChI=1S/C5H9N3O2/c1-3(2-6)4(9)8-5(7)10/h2H,6H2,1H3,(H3,7,8,9,10)
InChIKeyPHTGIXHGUUJFCP-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.96
Rot. Bonds1

About 3-amino-N-carbamoyl-2-methylprop-2-enamide

3-amino-N-carbamoyl-2-methylprop-2-enamide (PubChem CID 155928086) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 3-amino-N-carbamoyl-2-methylprop-2-enamide.

Molecular Properties

Compound Name3-amino-N-carbamoyl-2-methylprop-2-enamide
PubChem CID155928086
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name3-amino-N-carbamoyl-2-methylprop-2-enamide
SMILESCC(=CN)C(=O)NC(N)=O
InChIInChI=1S/C5H9N3O2/c1-3(2-6)4(9)8-5(7)10/h2H,6H2,1H3,(H3,7,8,9,10)
InChIKeyPHTGIXHGUUJFCP-UHFFFAOYSA-N
XLogP-0.96
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-amino-N-carbamoyl-2-methylprop-2-enamide?
The IUPAC name of 3-amino-N-carbamoyl-2-methylprop-2-enamide (CID 155928086) is 3-amino-N-carbamoyl-2-methylprop-2-enamide.
What is the SMILES notation for 3-amino-N-carbamoyl-2-methylprop-2-enamide?
The canonical SMILES for 3-amino-N-carbamoyl-2-methylprop-2-enamide is CC(=CN)C(=O)NC(N)=O.
What is the InChIKey of 3-amino-N-carbamoyl-2-methylprop-2-enamide?
The InChIKey is PHTGIXHGUUJFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-3(2-6)4(9)8-5(7)10/h2H,6H2,1H3,(H3,7,8,9,10).
What are the key properties of 3-amino-N-carbamoyl-2-methylprop-2-enamide?
3-amino-N-carbamoyl-2-methylprop-2-enamide has a molecular weight of 143.15 g/mol, XLogP of -0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-carbamoyl-2-methylprop-2-enamide is sourced from PubChem (CID 155928086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).