3-pyridin-3-ylcyclohex-2-en-1-one

C11H11NO — CID 13402571

IUPAC3-pyridin-3-ylcyclohex-2-en-1-one
SMILESO=C1C=C(c2cccnc2)CCC1
InChIInChI=1S/C11H11NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h2,4,6-8H,1,3,5H2
InChIKeyONIOZXVZKCKBPJ-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.22
Rot. Bonds1

About 3-pyridin-3-ylcyclohex-2-en-1-one

3-pyridin-3-ylcyclohex-2-en-1-one (PubChem CID 13402571) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-pyridin-3-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-pyridin-3-ylcyclohex-2-en-1-one
PubChem CID13402571
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name3-pyridin-3-ylcyclohex-2-en-1-one
SMILESO=C1C=C(c2cccnc2)CCC1
InChIInChI=1S/C11H11NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h2,4,6-8H,1,3,5H2
InChIKeyONIOZXVZKCKBPJ-UHFFFAOYSA-N
XLogP2.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylcyclohex-2-en-1-one?
The IUPAC name of 3-pyridin-3-ylcyclohex-2-en-1-one (CID 13402571) is 3-pyridin-3-ylcyclohex-2-en-1-one.
What is the SMILES notation for 3-pyridin-3-ylcyclohex-2-en-1-one?
The canonical SMILES for 3-pyridin-3-ylcyclohex-2-en-1-one is O=C1C=C(c2cccnc2)CCC1.
What is the InChIKey of 3-pyridin-3-ylcyclohex-2-en-1-one?
The InChIKey is ONIOZXVZKCKBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h2,4,6-8H,1,3,5H2.
What are the key properties of 3-pyridin-3-ylcyclohex-2-en-1-one?
3-pyridin-3-ylcyclohex-2-en-1-one has a molecular weight of 173.22 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylcyclohex-2-en-1-one is sourced from PubChem (CID 13402571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).