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

C4H8N4O2 — CID 151719630

IUPAC1-amino-3-(3-oxoprop-2-enylamino)urea
SMILESNNC(=O)NNCC=C=O
InChIInChI=1S/C4H8N4O2/c5-7-4(10)8-6-2-1-3-9/h1,6H,2,5H2,(H2,7,8,10)
InChIKeyRIHJTSCPPWCKJL-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.95
Rot. Bonds3

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

1-amino-3-(3-oxoprop-2-enylamino)urea (PubChem CID 151719630) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is 1-amino-3-(3-oxoprop-2-enylamino)urea.

Molecular Properties

Compound Name1-amino-3-(3-oxoprop-2-enylamino)urea
PubChem CID151719630
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC Name1-amino-3-(3-oxoprop-2-enylamino)urea
SMILESNNC(=O)NNCC=C=O
InChIInChI=1S/C4H8N4O2/c5-7-4(10)8-6-2-1-3-9/h1,6H,2,5H2,(H2,7,8,10)
InChIKeyRIHJTSCPPWCKJL-UHFFFAOYSA-N
XLogP-1.95
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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': 'ketene', '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-(3-oxoprop-2-enylamino)urea?
The IUPAC name of 1-amino-3-(3-oxoprop-2-enylamino)urea (CID 151719630) is 1-amino-3-(3-oxoprop-2-enylamino)urea.
What is the SMILES notation for 1-amino-3-(3-oxoprop-2-enylamino)urea?
The canonical SMILES for 1-amino-3-(3-oxoprop-2-enylamino)urea is NNC(=O)NNCC=C=O.
What is the InChIKey of 1-amino-3-(3-oxoprop-2-enylamino)urea?
The InChIKey is RIHJTSCPPWCKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2/c5-7-4(10)8-6-2-1-3-9/h1,6H,2,5H2,(H2,7,8,10).
What are the key properties of 1-amino-3-(3-oxoprop-2-enylamino)urea?
1-amino-3-(3-oxoprop-2-enylamino)urea has a molecular weight of 144.13 g/mol, XLogP of -1.95, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-oxoprop-2-enylamino)urea is sourced from PubChem (CID 151719630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).