7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride

C15H22ClNO — CID 21436274

IUPAC7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride
SMILESCOc1ccc2c(c1)C(C)(C)C1CCCNC21.Cl
InChIInChI=1S/C15H21NO.ClH/c1-15(2)12-5-4-8-16-14(12)11-7-6-10(17-3)9-13(11)15;/h6-7,9,12,14,16H,4-5,8H2,1-3H3;1H
InChIKeyDSVHWNHUGOMKTI-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.45
Rot. Bonds1

About 7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride

7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride (PubChem CID 21436274) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride.

Molecular Properties

Compound Name7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride
PubChem CID21436274
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride
SMILESCOc1ccc2c(c1)C(C)(C)C1CCCNC21.Cl
InChIInChI=1S/C15H21NO.ClH/c1-15(2)12-5-4-8-16-14(12)11-7-6-10(17-3)9-13(11)15;/h6-7,9,12,14,16H,4-5,8H2,1-3H3;1H
InChIKeyDSVHWNHUGOMKTI-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride?
The IUPAC name of 7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride (CID 21436274) is 7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride.
What is the SMILES notation for 7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride?
The canonical SMILES for 7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride is COc1ccc2c(c1)C(C)(C)C1CCCNC21.Cl.
What is the InChIKey of 7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride?
The InChIKey is DSVHWNHUGOMKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.ClH/c1-15(2)12-5-4-8-16-14(12)11-7-6-10(17-3)9-13(11)15;/h6-7,9,12,14,16H,4-5,8H2,1-3H3;1H.
What are the key properties of 7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride?
7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride has a molecular weight of 267.80 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride is sourced from PubChem (CID 21436274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).