3-(decylamino)cyclopent-2-en-1-one

C15H27NO — CID 113453186

IUPAC3-(decylamino)cyclopent-2-en-1-one
SMILESCCCCCCCCCCNC1=CC(=O)CC1
InChIInChI=1S/C15H27NO/c1-2-3-4-5-6-7-8-9-12-16-14-10-11-15(17)13-14/h13,16H,2-12H2,1H3
InChIKeyGUKPVZVXXAOVAY-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.96
Rot. Bonds10

About 3-(decylamino)cyclopent-2-en-1-one

3-(decylamino)cyclopent-2-en-1-one (PubChem CID 113453186) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-(decylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(decylamino)cyclopent-2-en-1-one
PubChem CID113453186
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-(decylamino)cyclopent-2-en-1-one
SMILESCCCCCCCCCCNC1=CC(=O)CC1
InChIInChI=1S/C15H27NO/c1-2-3-4-5-6-7-8-9-12-16-14-10-11-15(17)13-14/h13,16H,2-12H2,1H3
InChIKeyGUKPVZVXXAOVAY-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.96
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 3-(decylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(decylamino)cyclopent-2-en-1-one (CID 113453186) is 3-(decylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(decylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(decylamino)cyclopent-2-en-1-one is CCCCCCCCCCNC1=CC(=O)CC1.
What is the InChIKey of 3-(decylamino)cyclopent-2-en-1-one?
The InChIKey is GUKPVZVXXAOVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-3-4-5-6-7-8-9-12-16-14-10-11-15(17)13-14/h13,16H,2-12H2,1H3.
What are the key properties of 3-(decylamino)cyclopent-2-en-1-one?
3-(decylamino)cyclopent-2-en-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(decylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 113453186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).