2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one

C15H24O — CID 175127269

IUPAC2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one
SMILESCC1(CCCC2CCCC2=O)CC=CCC1
InChIInChI=1S/C15H24O/c1-15(10-3-2-4-11-15)12-6-8-13-7-5-9-14(13)16/h2-3,13H,4-12H2,1H3
InChIKeyJBDZHTQAAKCVEH-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.27
Rot. Bonds4

About 2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one

2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one (PubChem CID 175127269) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one
PubChem CID175127269
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one
SMILESCC1(CCCC2CCCC2=O)CC=CCC1
InChIInChI=1S/C15H24O/c1-15(10-3-2-4-11-15)12-6-8-13-7-5-9-14(13)16/h2-3,13H,4-12H2,1H3
InChIKeyJBDZHTQAAKCVEH-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
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 2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one?
The IUPAC name of 2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one (CID 175127269) is 2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one.
What is the SMILES notation for 2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one?
The canonical SMILES for 2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one is CC1(CCCC2CCCC2=O)CC=CCC1.
What is the InChIKey of 2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one?
The InChIKey is JBDZHTQAAKCVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-15(10-3-2-4-11-15)12-6-8-13-7-5-9-14(13)16/h2-3,13H,4-12H2,1H3.
What are the key properties of 2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one?
2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one has a molecular weight of 220.36 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one is sourced from PubChem (CID 175127269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).