cyclohexen-1-yl-(3-methylcyclopentyl)methanone

C13H20O — CID 106651922

IUPACcyclohexen-1-yl-(3-methylcyclopentyl)methanone
SMILESCC1CCC(C(=O)C2=CCCCC2)C1
InChIInChI=1S/C13H20O/c1-10-7-8-12(9-10)13(14)11-5-3-2-4-6-11/h5,10,12H,2-4,6-9H2,1H3
InChIKeyNBXLFAFOSAVIDQ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.49
Rot. Bonds2

About cyclohexen-1-yl-(3-methylcyclopentyl)methanone

cyclohexen-1-yl-(3-methylcyclopentyl)methanone (PubChem CID 106651922) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is cyclohexen-1-yl-(3-methylcyclopentyl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(3-methylcyclopentyl)methanone
PubChem CID106651922
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Namecyclohexen-1-yl-(3-methylcyclopentyl)methanone
SMILESCC1CCC(C(=O)C2=CCCCC2)C1
InChIInChI=1S/C13H20O/c1-10-7-8-12(9-10)13(14)11-5-3-2-4-6-11/h5,10,12H,2-4,6-9H2,1H3
InChIKeyNBXLFAFOSAVIDQ-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(3-methylcyclopentyl)methanone?
The IUPAC name of cyclohexen-1-yl-(3-methylcyclopentyl)methanone (CID 106651922) is cyclohexen-1-yl-(3-methylcyclopentyl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(3-methylcyclopentyl)methanone?
The canonical SMILES for cyclohexen-1-yl-(3-methylcyclopentyl)methanone is CC1CCC(C(=O)C2=CCCCC2)C1.
What is the InChIKey of cyclohexen-1-yl-(3-methylcyclopentyl)methanone?
The InChIKey is NBXLFAFOSAVIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10-7-8-12(9-10)13(14)11-5-3-2-4-6-11/h5,10,12H,2-4,6-9H2,1H3.
What are the key properties of cyclohexen-1-yl-(3-methylcyclopentyl)methanone?
cyclohexen-1-yl-(3-methylcyclopentyl)methanone has a molecular weight of 192.30 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(3-methylcyclopentyl)methanone is sourced from PubChem (CID 106651922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).