[2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol

C21H31NO — CID 144726546

IUPAC[2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol
SMILESCC12CCC(C3(C)CCCCC3CO)CC1Cc1cccnc12
InChIInChI=1S/C21H31NO/c1-20(9-4-3-7-17(20)14-23)16-8-10-21(2)18(13-16)12-15-6-5-11-22-19(15)21/h5-6,11,16-18,23H,3-4,7-10,12-14H2,1-2H3
InChIKeyFUOFUNHQVYLWKG-UHFFFAOYSA-N
MW313.49 g/mol
LogP4.50
Rot. Bonds2

About [2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol

[2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol (PubChem CID 144726546) has the molecular formula C21H31NO and a molecular weight of 313.49 g/mol. Its IUPAC name is [2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol
PubChem CID144726546
Molecular FormulaC21H31NO
Molecular Weight313.49 g/mol
Exact Mass313.24
IUPAC Name[2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol
SMILESCC12CCC(C3(C)CCCCC3CO)CC1Cc1cccnc12
InChIInChI=1S/C21H31NO/c1-20(9-4-3-7-17(20)14-23)16-8-10-21(2)18(13-16)12-15-6-5-11-22-19(15)21/h5-6,11,16-18,23H,3-4,7-10,12-14H2,1-2H3
InChIKeyFUOFUNHQVYLWKG-UHFFFAOYSA-N
XLogP4.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol?
The IUPAC name of [2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol (CID 144726546) is [2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol.
What is the SMILES notation for [2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol?
The canonical SMILES for [2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol is CC12CCC(C3(C)CCCCC3CO)CC1Cc1cccnc12.
What is the InChIKey of [2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol?
The InChIKey is FUOFUNHQVYLWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO/c1-20(9-4-3-7-17(20)14-23)16-8-10-21(2)18(13-16)12-15-6-5-11-22-19(15)21/h5-6,11,16-18,23H,3-4,7-10,12-14H2,1-2H3.
What are the key properties of [2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol?
[2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol has a molecular weight of 313.49 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9a-methyl-5,5a,6,7,8,9-hexahydroindeno[1,2-b]pyridin-7-yl)-2-methylcyclohexyl]methanol is sourced from PubChem (CID 144726546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).