1-pent-4-enyl-3-propylurea

C9H18N2O — CID 166447960

IUPAC1-pent-4-enyl-3-propylurea
SMILESC=CCCCNC(=O)NCCC
InChIInChI=1S/C9H18N2O/c1-3-5-6-8-11-9(12)10-7-4-2/h3H,1,4-8H2,2H3,(H2,10,11,12)
InChIKeyAHYAQPFKBJHKSL-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.66
Rot. Bonds6

About 1-pent-4-enyl-3-propylurea

1-pent-4-enyl-3-propylurea (PubChem CID 166447960) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-pent-4-enyl-3-propylurea.

Molecular Properties

Compound Name1-pent-4-enyl-3-propylurea
PubChem CID166447960
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-pent-4-enyl-3-propylurea
SMILESC=CCCCNC(=O)NCCC
InChIInChI=1S/C9H18N2O/c1-3-5-6-8-11-9(12)10-7-4-2/h3H,1,4-8H2,2H3,(H2,10,11,12)
InChIKeyAHYAQPFKBJHKSL-UHFFFAOYSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-3-propyl-urea
CID 10067119
1-Ethyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl)-urea
CID 10712631
1-Methyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl)-urea
CID 10782834
1-Pentyl-3-prop-2-enylurea
CID 10773488
N-(4-Pentenyl)-urea
CID 55289982
n-5-Hexenyl urea
CID 55291393
1-Ethyl-3-(1-fluoropent-4-en-2-yl)urea
CID 163278546
(Butylamino)-N-prop-2-enylformamide
CID 4199411
N'-[(2E)-2-hexenyl]-N,N-dimethylurea
CID 15112126
3-Hex-1-en-3-yl-1,1-dimethylurea
CID 15112129
1-But-3-enyl-1,3-dimethylurea
CID 55300349
1-But-3-enyl-3-methyl-1-propan-2-ylurea
CID 85551378

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enyl-3-propylurea?
The IUPAC name of 1-pent-4-enyl-3-propylurea (CID 166447960) is 1-pent-4-enyl-3-propylurea.
What is the SMILES notation for 1-pent-4-enyl-3-propylurea?
The canonical SMILES for 1-pent-4-enyl-3-propylurea is C=CCCCNC(=O)NCCC.
What is the InChIKey of 1-pent-4-enyl-3-propylurea?
The InChIKey is AHYAQPFKBJHKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-5-6-8-11-9(12)10-7-4-2/h3H,1,4-8H2,2H3,(H2,10,11,12).
What are the key properties of 1-pent-4-enyl-3-propylurea?
1-pent-4-enyl-3-propylurea has a molecular weight of 170.26 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enyl-3-propylurea is sourced from PubChem (CID 166447960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).