2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one

C12H14O2 — CID 134993890

IUPAC2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one
SMILESO=C1C=C(C2=CCCCC2=O)CCC1
InChIInChI=1S/C12H14O2/c13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h6,8H,1-5,7H2
InChIKeyKKTRELIPZOUTOO-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.35
Rot. Bonds1

About 2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one

2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one (PubChem CID 134993890) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one
PubChem CID134993890
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one
SMILESO=C1C=C(C2=CCCCC2=O)CCC1
InChIInChI=1S/C12H14O2/c13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h6,8H,1-5,7H2
InChIKeyKKTRELIPZOUTOO-UHFFFAOYSA-N
XLogP2.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one?
The IUPAC name of 2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one (CID 134993890) is 2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one is O=C1C=C(C2=CCCCC2=O)CCC1.
What is the InChIKey of 2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one?
The InChIKey is KKTRELIPZOUTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h6,8H,1-5,7H2.
What are the key properties of 2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one?
2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 134993890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).