azane;prop-1-ene;urea

C4H13N3O — CID 137481531

IUPACazane;prop-1-ene;urea
SMILESC=CC.N.NC(N)=O
InChIInChI=1S/C3H6.CH4N2O.H3N/c1-3-2;2-1(3)4;/h3H,1H2,2H3;(H4,2,3,4);1H3
InChIKeyDXSXEWRZOUWDOW-UHFFFAOYSA-N
MW119.17 g/mol
LogP0.38
Rot. Bonds

About azane;prop-1-ene;urea

azane;prop-1-ene;urea (PubChem CID 137481531) has the molecular formula C4H13N3O and a molecular weight of 119.17 g/mol. Its IUPAC name is azane;prop-1-ene;urea.

Molecular Properties

Compound Nameazane;prop-1-ene;urea
PubChem CID137481531
Molecular FormulaC4H13N3O
Molecular Weight119.17 g/mol
Exact Mass119.11
IUPAC Nameazane;prop-1-ene;urea
SMILESC=CC.N.NC(N)=O
InChIInChI=1S/C3H6.CH4N2O.H3N/c1-3-2;2-1(3)4;/h3H,1H2,2H3;(H4,2,3,4);1H3
InChIKeyDXSXEWRZOUWDOW-UHFFFAOYSA-N
XLogP0.38
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 50.38
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-1-ene;urea?
The IUPAC name of azane;prop-1-ene;urea (CID 137481531) is azane;prop-1-ene;urea.
What is the SMILES notation for azane;prop-1-ene;urea?
The canonical SMILES for azane;prop-1-ene;urea is C=CC.N.NC(N)=O.
What is the InChIKey of azane;prop-1-ene;urea?
The InChIKey is DXSXEWRZOUWDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.CH4N2O.H3N/c1-3-2;2-1(3)4;/h3H,1H2,2H3;(H4,2,3,4);1H3.
What are the key properties of azane;prop-1-ene;urea?
azane;prop-1-ene;urea has a molecular weight of 119.17 g/mol, XLogP of 0.38, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;prop-1-ene;urea is sourced from PubChem (CID 137481531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).