3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine

C12H13N — CID 152626121

IUPAC3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine
SMILESC1=C/C(=C/c2cccnc2)CCC1
InChIInChI=1S/C12H13N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h2,4-5,7-10H,1,3,6H2/b11-9-
InChIKeyZCOAZFHVLKIVOP-LUAWRHEFSA-N
MW171.24 g/mol
LogP3.21
Rot. Bonds1

About 3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine

3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine (PubChem CID 152626121) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine.

Molecular Properties

Compound Name3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine
PubChem CID152626121
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine
SMILESC1=C/C(=C/c2cccnc2)CCC1
InChIInChI=1S/C12H13N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h2,4-5,7-10H,1,3,6H2/b11-9-
InChIKeyZCOAZFHVLKIVOP-LUAWRHEFSA-N
XLogP3.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine?
The IUPAC name of 3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine (CID 152626121) is 3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine.
What is the SMILES notation for 3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine?
The canonical SMILES for 3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine is C1=C/C(=C/c2cccnc2)CCC1.
What is the InChIKey of 3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine?
The InChIKey is ZCOAZFHVLKIVOP-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H13N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h2,4-5,7-10H,1,3,6H2/b11-9-.
What are the key properties of 3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine?
3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine has a molecular weight of 171.24 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-cyclohex-2-en-1-ylidenemethyl]pyridine is sourced from PubChem (CID 152626121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).