1-cyclopentyloxy-3-propylurea

C9H18N2O2 — CID 110666992

IUPAC1-cyclopentyloxy-3-propylurea
SMILESCCCNC(=O)NOC1CCCC1
InChIInChI=1S/C9H18N2O2/c1-2-7-10-9(12)11-13-8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyPJGUKGVHYDHNQC-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.57
Rot. Bonds4

About 1-cyclopentyloxy-3-propylurea

1-cyclopentyloxy-3-propylurea (PubChem CID 110666992) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-propylurea.

Molecular Properties

Compound Name1-cyclopentyloxy-3-propylurea
PubChem CID110666992
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-cyclopentyloxy-3-propylurea
SMILESCCCNC(=O)NOC1CCCC1
InChIInChI=1S/C9H18N2O2/c1-2-7-10-9(12)11-13-8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyPJGUKGVHYDHNQC-UHFFFAOYSA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-propylurea?
The IUPAC name of 1-cyclopentyloxy-3-propylurea (CID 110666992) is 1-cyclopentyloxy-3-propylurea.
What is the SMILES notation for 1-cyclopentyloxy-3-propylurea?
The canonical SMILES for 1-cyclopentyloxy-3-propylurea is CCCNC(=O)NOC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-propylurea?
The InChIKey is PJGUKGVHYDHNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-7-10-9(12)11-13-8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,11,12).
What are the key properties of 1-cyclopentyloxy-3-propylurea?
1-cyclopentyloxy-3-propylurea has a molecular weight of 186.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-propylurea is sourced from PubChem (CID 110666992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).