(4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole

C17H17NO — CID 15082742

IUPAC(4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
SMILESCOc1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2C
InChIInChI=1S/C17H17NO/c1-18-16-8-7-12(19-2)10-14(16)15-9-11-5-3-4-6-13(11)17(15)18/h3-8,10,15,17H,9H2,1-2H3/t15-,17-/m1/s1
InChIKeyRNHJXVULRFUXEY-NVXWUHKLSA-N
MW251.33 g/mol
LogP3.53
Rot. Bonds1

About (4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole

(4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole (PubChem CID 15082742) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole.

Molecular Properties

Compound Name(4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
PubChem CID15082742
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
SMILESCOc1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2C
InChIInChI=1S/C17H17NO/c1-18-16-8-7-12(19-2)10-14(16)15-9-11-5-3-4-6-13(11)17(15)18/h3-8,10,15,17H,9H2,1-2H3/t15-,17-/m1/s1
InChIKeyRNHJXVULRFUXEY-NVXWUHKLSA-N
XLogP3.53
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 ≤ 53.53
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

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
4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 25053473
4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 25053538
[3-[(5-Methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 13324738
alpha-(5-Methoxy-1-indolinyl)-m-tolunitrile
CID 13408842
(4aR,9bS)-8-methoxy-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 6558591
3-benzyl-7-methoxy-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 25053470
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
N-[(7-methoxy-3a-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-yl)methyl]-N-methylaniline
CID 168292939
7-methoxy-3a-methyl-5-(2-phenylethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline
CID 168297901
5-Methoxy-1,3,3-trimethyl-2-methyleneindoline
CID 3015829
Furo[2,3-b]indole, 2,3,3a,8,8a-pentahydro-5-methoxy-8-methyl-
CID 613012

Frequently Asked Questions

What is the IUPAC name of (4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The IUPAC name of (4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole (CID 15082742) is (4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole.
What is the SMILES notation for (4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The canonical SMILES for (4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole is COc1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2C.
What is the InChIKey of (4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The InChIKey is RNHJXVULRFUXEY-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H17NO/c1-18-16-8-7-12(19-2)10-14(16)15-9-11-5-3-4-6-13(11)17(15)18/h3-8,10,15,17H,9H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of (4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
(4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole has a molecular weight of 251.33 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,9bR)-8-methoxy-5-methyl-9b,10-dihydro-4bH-indeno[1,2-b]indole is sourced from PubChem (CID 15082742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).