azane;prop-2-enylurea

C4H11N3O — CID 87985882

IUPACazane;prop-2-enylurea
SMILESC=CCNC(N)=O.N
InChIInChI=1S/C4H8N2O.H3N/c1-2-3-6-4(5)7;/h2H,1,3H2,(H3,5,6,7);1H3
InChIKeyKRFMGXLZRGGBBK-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.00
Rot. Bonds2

About azane;prop-2-enylurea

azane;prop-2-enylurea (PubChem CID 87985882) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is azane;prop-2-enylurea.

Molecular Properties

Compound Nameazane;prop-2-enylurea
PubChem CID87985882
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Nameazane;prop-2-enylurea
SMILESC=CCNC(N)=O.N
InChIInChI=1S/C4H8N2O.H3N/c1-2-3-6-4(5)7;/h2H,1,3H2,(H3,5,6,7);1H3
InChIKeyKRFMGXLZRGGBBK-UHFFFAOYSA-N
XLogP0.00
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;prop-2-enylurea?
The IUPAC name of azane;prop-2-enylurea (CID 87985882) is azane;prop-2-enylurea.
What is the SMILES notation for azane;prop-2-enylurea?
The canonical SMILES for azane;prop-2-enylurea is C=CCNC(N)=O.N.
What is the InChIKey of azane;prop-2-enylurea?
The InChIKey is KRFMGXLZRGGBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.H3N/c1-2-3-6-4(5)7;/h2H,1,3H2,(H3,5,6,7);1H3.
What are the key properties of azane;prop-2-enylurea?
azane;prop-2-enylurea has a molecular weight of 117.15 g/mol, XLogP of 0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;prop-2-enylurea is sourced from PubChem (CID 87985882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).