(3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol

C13H17NO — CID 134580493

IUPAC(3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol
SMILESCC1=C(O)CCC[C@]1(C)c1ccccn1
InChIInChI=1S/C13H17NO/c1-10-11(15)6-5-8-13(10,2)12-7-3-4-9-14-12/h3-4,7,9,15H,5-6,8H2,1-2H3/t13-/m0/s1
InChIKeyBDLPGXAXRBVLHB-ZDUSSCGKSA-N
MW203.29 g/mol
LogP3.36
Rot. Bonds1

About (3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol

(3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol (PubChem CID 134580493) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol.

Molecular Properties

Compound Name(3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol
PubChem CID134580493
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol
SMILESCC1=C(O)CCC[C@]1(C)c1ccccn1
InChIInChI=1S/C13H17NO/c1-10-11(15)6-5-8-13(10,2)12-7-3-4-9-14-12/h3-4,7,9,15H,5-6,8H2,1-2H3/t13-/m0/s1
InChIKeyBDLPGXAXRBVLHB-ZDUSSCGKSA-N
XLogP3.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-4-pyridin-2-ylcyclohexan-1-one
CID 134438979
2-(2-methylpiperidin-2-yl)pyridine
CID 83529728
3-methyl-3-pyridin-2-ylpyrrolidine-2,5-dione
CID 43155363
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
CID 163800991
2-(1-pyridin-2-ylcyclobutyl)ethanol
CID 83683269
2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine
CID 66780778
[1-(aminomethyl)-2-methyl-2-pyridin-2-ylcyclopropyl]methanol
CID 63042187
[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol
CID 154608477
5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol
CID 15734054
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
5-methyl-5-pyridin-2-ylcyclohexane-1,3-dione
CID 149038728
2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine
CID 18960980

Frequently Asked Questions

What is the IUPAC name of (3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol?
The IUPAC name of (3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol (CID 134580493) is (3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol.
What is the SMILES notation for (3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol?
The canonical SMILES for (3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol is CC1=C(O)CCC[C@]1(C)c1ccccn1.
What is the InChIKey of (3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol?
The InChIKey is BDLPGXAXRBVLHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-11(15)6-5-8-13(10,2)12-7-3-4-9-14-12/h3-4,7,9,15H,5-6,8H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol?
(3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol has a molecular weight of 203.29 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol is sourced from PubChem (CID 134580493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).