9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole

C16H15NO — CID 22408501

IUPAC9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
SMILESCOc1ccc2c(c1)C1c3ccccc3NC1C2
InChIInChI=1S/C16H15NO/c1-18-11-7-6-10-8-15-16(13(10)9-11)12-4-2-3-5-14(12)17-15/h2-7,9,15-17H,8H2,1H3
InChIKeyZCDITJUZYQBKTL-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.18
Rot. Bonds1

About 9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole

9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole (PubChem CID 22408501) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole.

Molecular Properties

Compound Name9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
PubChem CID22408501
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
SMILESCOc1ccc2c(c1)C1c3ccccc3NC1C2
InChIInChI=1S/C16H15NO/c1-18-11-7-6-10-8-15-16(13(10)9-11)12-4-2-3-5-14(12)17-15/h2-7,9,15-17H,8H2,1H3
InChIKeyZCDITJUZYQBKTL-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole with MolForge

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Related Compounds

(5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 70355656
3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
CID 115825727
7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
CID 115825652
(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 58294510
(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine
CID 10562844
(2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 129404319
(2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 102052144
2-cyclopropyl-4-methoxy-1-phenylbenzene
CID 173009156
(2S,4R)-6-methoxy-4-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 23237017
2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole
CID 167260146
(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 129404140
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole?
The IUPAC name of 9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole (CID 22408501) is 9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole.
What is the SMILES notation for 9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole?
The canonical SMILES for 9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole is COc1ccc2c(c1)C1c3ccccc3NC1C2.
What is the InChIKey of 9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole?
The InChIKey is ZCDITJUZYQBKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-18-11-7-6-10-8-15-16(13(10)9-11)12-4-2-3-5-14(12)17-15/h2-7,9,15-17H,8H2,1H3.
What are the key properties of 9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole?
9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole has a molecular weight of 237.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole is sourced from PubChem (CID 22408501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).