(4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole

C16H15NO — CID 15082735

IUPAC(4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole
SMILESCOc1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2
InChIInChI=1S/C16H15NO/c1-18-11-6-7-15-13(9-11)14-8-10-4-2-3-5-12(10)16(14)17-15/h2-7,9,14,16-17H,8H2,1H3/t14-,16-/m1/s1
InChIKeyZBEPIFBYNJESGD-GDBMZVCRSA-N
MW237.30 g/mol
LogP3.50
Rot. Bonds1

About (4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole

(4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole (PubChem CID 15082735) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole.

Molecular Properties

Compound Name(4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole
PubChem CID15082735
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole
SMILESCOc1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2
InChIInChI=1S/C16H15NO/c1-18-11-6-7-15-13(9-11)14-8-10-4-2-3-5-12(10)16(14)17-15/h2-7,9,14,16-17H,8H2,1H3/t14-,16-/m1/s1
InChIKeyZBEPIFBYNJESGD-GDBMZVCRSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
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

5-methoxy-2,3-dihydro-1H-indole
CID 10701974
n,n-Dimethyl 2-(5-methoxy-2,3-dihydro-1h-indol-3-yl)ethylamine
CID 11806221
Benzenamine, 4-(2,3,4,4a,5,9b-hexahydro-7-methoxy-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-beta,9b-alpha)-
CID 55853
Benzenamine, N,N-dimethyl-4-(2,3,4,4a,5,9b-hexahydro-7-methoxy-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-beta,9b-alpha)-
CID 55862
Benzenamine, 4-(2,3,4,4a,5,9b-hexahydro-7-methoxy-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-alpha,9b-alpha)-
CID 55878
5-(Benzyloxy)-2,3-dihydro-1H-indole
CID 16794881
[3-[(5-Methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 13324738
5-Methoxy-2-methyl-2,3-dihydro-1H-indole
CID 10797090
5-methoxy-2,3-dihydro-1H-indole hydrochloride
CID 20035668
(4aR,9bS)-8-methoxy-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 6558591
4-[(4aS,5S,9bS)-7-methoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]-N,N-dimethylaniline
CID 44358132
6-benzyloxy-2,3,4,4a,9,9a-hexahydro-1H-beta-carboline
CID 44431059

Frequently Asked Questions

What is the IUPAC name of (4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole?
The IUPAC name of (4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole (CID 15082735) is (4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole.
What is the SMILES notation for (4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole?
The canonical SMILES for (4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole is COc1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2.
What is the InChIKey of (4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole?
The InChIKey is ZBEPIFBYNJESGD-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H15NO/c1-18-11-6-7-15-13(9-11)14-8-10-4-2-3-5-12(10)16(14)17-15/h2-7,9,14,16-17H,8H2,1H3/t14-,16-/m1/s1.
What are the key properties of (4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole?
(4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole has a molecular weight of 237.30 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,9bR)-8-methoxy-4b,5,9b,10-tetrahydroindeno[1,2-b]indole is sourced from PubChem (CID 15082735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).