2-cyclohex-2-en-1-yl-1-cyclopentylethanone

C13H20O — CID 114620361

IUPAC2-cyclohex-2-en-1-yl-1-cyclopentylethanone
SMILESO=C(CC1C=CCCC1)C1CCCC1
InChIInChI=1S/C13H20O/c14-13(12-8-4-5-9-12)10-11-6-2-1-3-7-11/h2,6,11-12H,1,3-5,7-10H2
InChIKeyLFBHODMPGXMGHB-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.49
Rot. Bonds3

About 2-cyclohex-2-en-1-yl-1-cyclopentylethanone

2-cyclohex-2-en-1-yl-1-cyclopentylethanone (PubChem CID 114620361) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-1-cyclopentylethanone.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-1-cyclopentylethanone
PubChem CID114620361
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-cyclohex-2-en-1-yl-1-cyclopentylethanone
SMILESO=C(CC1C=CCCC1)C1CCCC1
InChIInChI=1S/C13H20O/c14-13(12-8-4-5-9-12)10-11-6-2-1-3-7-11/h2,6,11-12H,1,3-5,7-10H2
InChIKeyLFBHODMPGXMGHB-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.49
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-cyclohex-2-en-1-yl-1-cyclopentylethanone?
The IUPAC name of 2-cyclohex-2-en-1-yl-1-cyclopentylethanone (CID 114620361) is 2-cyclohex-2-en-1-yl-1-cyclopentylethanone.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-1-cyclopentylethanone?
The canonical SMILES for 2-cyclohex-2-en-1-yl-1-cyclopentylethanone is O=C(CC1C=CCCC1)C1CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-1-cyclopentylethanone?
The InChIKey is LFBHODMPGXMGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c14-13(12-8-4-5-9-12)10-11-6-2-1-3-7-11/h2,6,11-12H,1,3-5,7-10H2.
What are the key properties of 2-cyclohex-2-en-1-yl-1-cyclopentylethanone?
2-cyclohex-2-en-1-yl-1-cyclopentylethanone has a molecular weight of 192.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-1-cyclopentylethanone is sourced from PubChem (CID 114620361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).