3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine

C13H17NO — CID 175121703

IUPAC3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine
SMILESCOC1=CCCC(Cc2cccnc2)C1
InChIInChI=1S/C13H17NO/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12/h3,5-7,10-11H,2,4,8-9H2,1H3
InChIKeyVCUXOCVUOKMZTM-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.95
Rot. Bonds3

About 3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine

3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine (PubChem CID 175121703) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine
PubChem CID175121703
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine
SMILESCOC1=CCCC(Cc2cccnc2)C1
InChIInChI=1S/C13H17NO/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12/h3,5-7,10-11H,2,4,8-9H2,1H3
InChIKeyVCUXOCVUOKMZTM-UHFFFAOYSA-N
XLogP2.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine?
The IUPAC name of 3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine (CID 175121703) is 3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine.
What is the SMILES notation for 3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine?
The canonical SMILES for 3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine is COC1=CCCC(Cc2cccnc2)C1.
What is the InChIKey of 3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine?
The InChIKey is VCUXOCVUOKMZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12/h3,5-7,10-11H,2,4,8-9H2,1H3.
What are the key properties of 3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine?
3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine has a molecular weight of 203.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine is sourced from PubChem (CID 175121703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).