1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol

C13H17NO — CID 118712364

IUPAC1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol
SMILESCN1CCCC2Cc3ccc(O)cc3C21
InChIInChI=1S/C13H17NO/c1-14-6-2-3-10-7-9-4-5-11(15)8-12(9)13(10)14/h4-5,8,10,13,15H,2-3,6-7H2,1H3
InChIKeyDIDKRKZDPMOUPT-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.33
Rot. Bonds

About 1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol

1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol (PubChem CID 118712364) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol.

Molecular Properties

Compound Name1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol
PubChem CID118712364
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol
SMILESCN1CCCC2Cc3ccc(O)cc3C21
InChIInChI=1S/C13H17NO/c1-14-6-2-3-10-7-9-4-5-11(15)8-12(9)13(10)14/h4-5,8,10,13,15H,2-3,6-7H2,1H3
InChIKeyDIDKRKZDPMOUPT-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol?
The IUPAC name of 1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol (CID 118712364) is 1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol.
What is the SMILES notation for 1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol?
The canonical SMILES for 1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol is CN1CCCC2Cc3ccc(O)cc3C21.
What is the InChIKey of 1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol?
The InChIKey is DIDKRKZDPMOUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-6-2-3-10-7-9-4-5-11(15)8-12(9)13(10)14/h4-5,8,10,13,15H,2-3,6-7H2,1H3.
What are the key properties of 1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol?
1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol has a molecular weight of 203.29 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol is sourced from PubChem (CID 118712364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).