1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol

C20H23NO — CID 22767551

IUPAC1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
SMILESCc1cccc(C2c3cc(O)ccc3C3C2CCCN3C)c1
InChIInChI=1S/C20H23NO/c1-13-5-3-6-14(11-13)19-17-7-4-10-21(2)20(17)16-9-8-15(22)12-18(16)19/h3,5-6,8-9,11-12,17,19-20,22H,4,7,10H2,1-2H3
InChIKeyNJQJQXDYLQCXIU-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.23
Rot. Bonds1

About 1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol

1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol (PubChem CID 22767551) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol.

Molecular Properties

Compound Name1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
PubChem CID22767551
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
SMILESCc1cccc(C2c3cc(O)ccc3C3C2CCCN3C)c1
InChIInChI=1S/C20H23NO/c1-13-5-3-6-14(11-13)19-17-7-4-10-21(2)20(17)16-9-8-15(22)12-18(16)19/h3,5-6,8-9,11-12,17,19-20,22H,4,7,10H2,1-2H3
InChIKeyNJQJQXDYLQCXIU-UHFFFAOYSA-N
XLogP4.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol?
The IUPAC name of 1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol (CID 22767551) is 1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol.
What is the SMILES notation for 1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol?
The canonical SMILES for 1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol is Cc1cccc(C2c3cc(O)ccc3C3C2CCCN3C)c1.
What is the InChIKey of 1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol?
The InChIKey is NJQJQXDYLQCXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-13-5-3-6-14(11-13)19-17-7-4-10-21(2)20(17)16-9-8-15(22)12-18(16)19/h3,5-6,8-9,11-12,17,19-20,22H,4,7,10H2,1-2H3.
What are the key properties of 1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol?
1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol has a molecular weight of 293.41 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol is sourced from PubChem (CID 22767551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).