1-prop-2-enyl-3-propylurea

C7H14N2O — CID 4141942

IUPAC1-prop-2-enyl-3-propylurea
SMILESC=CCNC(=O)NCCC
InChIInChI=1S/C7H14N2O/c1-3-5-8-7(10)9-6-4-2/h3H,1,4-6H2,2H3,(H2,8,9,10)
InChIKeyIXWZIIHZLGKQDO-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.88
Rot. Bonds4

About 1-prop-2-enyl-3-propylurea

1-prop-2-enyl-3-propylurea (PubChem CID 4141942) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-prop-2-enyl-3-propylurea.

Molecular Properties

Compound Name1-prop-2-enyl-3-propylurea
PubChem CID4141942
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-prop-2-enyl-3-propylurea
SMILESC=CCNC(=O)NCCC
InChIInChI=1S/C7H14N2O/c1-3-5-8-7(10)9-6-4-2/h3H,1,4-6H2,2H3,(H2,8,9,10)
InChIKeyIXWZIIHZLGKQDO-UHFFFAOYSA-N
XLogP0.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1-prop-2-enyl-3-propylurea?
The IUPAC name of 1-prop-2-enyl-3-propylurea (CID 4141942) is 1-prop-2-enyl-3-propylurea.
What is the SMILES notation for 1-prop-2-enyl-3-propylurea?
The canonical SMILES for 1-prop-2-enyl-3-propylurea is C=CCNC(=O)NCCC.
What is the InChIKey of 1-prop-2-enyl-3-propylurea?
The InChIKey is IXWZIIHZLGKQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-5-8-7(10)9-6-4-2/h3H,1,4-6H2,2H3,(H2,8,9,10).
What are the key properties of 1-prop-2-enyl-3-propylurea?
1-prop-2-enyl-3-propylurea has a molecular weight of 142.20 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-propylurea is sourced from PubChem (CID 4141942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).