2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole

C17H17NO — CID 167260146

IUPAC2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole
SMILESCOc1ccc2c(c1)C1c3ccccc3CC1N2C
InChIInChI=1S/C17H17NO/c1-18-15-8-7-12(19-2)10-14(15)17-13-6-4-3-5-11(13)9-16(17)18/h3-8,10,16-17H,9H2,1-2H3
InChIKeyAUXIVMHJHQKRRT-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.20
Rot. Bonds1

About 2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole

2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole (PubChem CID 167260146) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole.

Molecular Properties

Compound Name2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole
PubChem CID167260146
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole
SMILESCOc1ccc2c(c1)C1c3ccccc3CC1N2C
InChIInChI=1S/C17H17NO/c1-18-15-8-7-12(19-2)10-14(15)17-13-6-4-3-5-11(13)9-16(17)18/h3-8,10,16-17H,9H2,1-2H3
InChIKeyAUXIVMHJHQKRRT-UHFFFAOYSA-N
XLogP3.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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CID 115008450
8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
CID 115008442
(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine
CID 10562844
8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 115007928
9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 22408501
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352
6-methoxy-2-(4-methoxypiperidin-1-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79370088
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,4-dimethoxyaniline
CID 66419675
1-(4-methoxy-2-methylphenyl)-4-methylpiperazine
CID 21363831
(1R,2S,6R)-9-methoxy-4-phenyl-4,13-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-7(12),8,10,16,18,20-hexaene-3,5-dione
CID 139148235
6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid
CID 115008080

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole?
The IUPAC name of 2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole (CID 167260146) is 2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole.
What is the SMILES notation for 2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole?
The canonical SMILES for 2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole is COc1ccc2c(c1)C1c3ccccc3CC1N2C.
What is the InChIKey of 2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole?
The InChIKey is AUXIVMHJHQKRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-18-15-8-7-12(19-2)10-14(15)17-13-6-4-3-5-11(13)9-16(17)18/h3-8,10,16-17H,9H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole?
2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole has a molecular weight of 251.33 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole is sourced from PubChem (CID 167260146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).