1-amino-3-(prop-2-enylamino)urea

C4H10N4O — CID 87611192

IUPAC1-amino-3-(prop-2-enylamino)urea
SMILESC=CCNNC(=O)NN
InChIInChI=1S/C4H10N4O/c1-2-3-6-8-4(9)7-5/h2,6H,1,3,5H2,(H2,7,8,9)
InChIKeySWYNXHITDCAUEQ-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.15
Rot. Bonds3

About 1-amino-3-(prop-2-enylamino)urea

1-amino-3-(prop-2-enylamino)urea (PubChem CID 87611192) has the molecular formula C4H10N4O and a molecular weight of 130.15 g/mol. Its IUPAC name is 1-amino-3-(prop-2-enylamino)urea.

Molecular Properties

Compound Name1-amino-3-(prop-2-enylamino)urea
PubChem CID87611192
Molecular FormulaC4H10N4O
Molecular Weight130.15 g/mol
Exact Mass130.09
IUPAC Name1-amino-3-(prop-2-enylamino)urea
SMILESC=CCNNC(=O)NN
InChIInChI=1S/C4H10N4O/c1-2-3-6-8-4(9)7-5/h2,6H,1,3,5H2,(H2,7,8,9)
InChIKeySWYNXHITDCAUEQ-UHFFFAOYSA-N
XLogP-1.15
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(prop-2-enylamino)urea?
The IUPAC name of 1-amino-3-(prop-2-enylamino)urea (CID 87611192) is 1-amino-3-(prop-2-enylamino)urea.
What is the SMILES notation for 1-amino-3-(prop-2-enylamino)urea?
The canonical SMILES for 1-amino-3-(prop-2-enylamino)urea is C=CCNNC(=O)NN.
What is the InChIKey of 1-amino-3-(prop-2-enylamino)urea?
The InChIKey is SWYNXHITDCAUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O/c1-2-3-6-8-4(9)7-5/h2,6H,1,3,5H2,(H2,7,8,9).
What are the key properties of 1-amino-3-(prop-2-enylamino)urea?
1-amino-3-(prop-2-enylamino)urea has a molecular weight of 130.15 g/mol, XLogP of -1.15, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(prop-2-enylamino)urea is sourced from PubChem (CID 87611192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).