2-cyclopentyl-3-octylimidazolidin-4-one

C16H30N2O — CID 83260832

IUPAC2-cyclopentyl-3-octylimidazolidin-4-one
SMILESCCCCCCCCN1C(=O)CNC1C1CCCC1
InChIInChI=1S/C16H30N2O/c1-2-3-4-5-6-9-12-18-15(19)13-17-16(18)14-10-7-8-11-14/h14,16-17H,2-13H2,1H3
InChIKeyUMHJCOVQUWZNPI-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.30
Rot. Bonds8

About 2-cyclopentyl-3-octylimidazolidin-4-one

2-cyclopentyl-3-octylimidazolidin-4-one (PubChem CID 83260832) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-cyclopentyl-3-octylimidazolidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-3-octylimidazolidin-4-one
PubChem CID83260832
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-cyclopentyl-3-octylimidazolidin-4-one
SMILESCCCCCCCCN1C(=O)CNC1C1CCCC1
InChIInChI=1S/C16H30N2O/c1-2-3-4-5-6-9-12-18-15(19)13-17-16(18)14-10-7-8-11-14/h14,16-17H,2-13H2,1H3
InChIKeyUMHJCOVQUWZNPI-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-octylimidazolidin-4-one?
The IUPAC name of 2-cyclopentyl-3-octylimidazolidin-4-one (CID 83260832) is 2-cyclopentyl-3-octylimidazolidin-4-one.
What is the SMILES notation for 2-cyclopentyl-3-octylimidazolidin-4-one?
The canonical SMILES for 2-cyclopentyl-3-octylimidazolidin-4-one is CCCCCCCCN1C(=O)CNC1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-octylimidazolidin-4-one?
The InChIKey is UMHJCOVQUWZNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-3-4-5-6-9-12-18-15(19)13-17-16(18)14-10-7-8-11-14/h14,16-17H,2-13H2,1H3.
What are the key properties of 2-cyclopentyl-3-octylimidazolidin-4-one?
2-cyclopentyl-3-octylimidazolidin-4-one has a molecular weight of 266.43 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-octylimidazolidin-4-one is sourced from PubChem (CID 83260832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).