N-[(carbamoylamino)methyl]prop-2-enamide

C5H9N3O2 — CID 3017522

IUPACN-[(carbamoylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NCNC(N)=O
InChIInChI=1S/C5H9N3O2/c1-2-4(9)7-3-8-5(6)10/h2H,1,3H2,(H,7,9)(H3,6,8,10)
InChIKeyAHFCYFDSTXEZKS-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.09
Rot. Bonds3

About N-[(carbamoylamino)methyl]prop-2-enamide

N-[(carbamoylamino)methyl]prop-2-enamide (PubChem CID 3017522) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is N-[(carbamoylamino)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(carbamoylamino)methyl]prop-2-enamide
PubChem CID3017522
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC NameN-[(carbamoylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NCNC(N)=O
InChIInChI=1S/C5H9N3O2/c1-2-4(9)7-3-8-5(6)10/h2H,1,3H2,(H,7,9)(H3,6,8,10)
InChIKeyAHFCYFDSTXEZKS-UHFFFAOYSA-N
XLogP-1.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(carbamoylamino)methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(carbamoylamino)methyl]prop-2-enamide?
The IUPAC name of N-[(carbamoylamino)methyl]prop-2-enamide (CID 3017522) is N-[(carbamoylamino)methyl]prop-2-enamide.
What is the SMILES notation for N-[(carbamoylamino)methyl]prop-2-enamide?
The canonical SMILES for N-[(carbamoylamino)methyl]prop-2-enamide is C=CC(=O)NCNC(N)=O.
What is the InChIKey of N-[(carbamoylamino)methyl]prop-2-enamide?
The InChIKey is AHFCYFDSTXEZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-2-4(9)7-3-8-5(6)10/h2H,1,3H2,(H,7,9)(H3,6,8,10).
What are the key properties of N-[(carbamoylamino)methyl]prop-2-enamide?
N-[(carbamoylamino)methyl]prop-2-enamide has a molecular weight of 143.15 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(carbamoylamino)methyl]prop-2-enamide is sourced from PubChem (CID 3017522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).