(4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole

C18H19NO — CID 67733864

IUPAC(4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole
SMILESCOc1cc(C)c2c(c1)[C@@H]1Cc3ccccc3[C@]1(C)N2
InChIInChI=1S/C18H19NO/c1-11-8-13(20-3)10-14-16-9-12-6-4-5-7-15(12)18(16,2)19-17(11)14/h4-8,10,16,19H,9H2,1-3H3/t16-,18-/m0/s1
InChIKeyICHLYSDXEGLLDH-WMZOPIPTSA-N
MW265.36 g/mol
LogP3.98
Rot. Bonds1

About (4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole

(4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole (PubChem CID 67733864) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole.

Molecular Properties

Compound Name(4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole
PubChem CID67733864
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole
SMILESCOc1cc(C)c2c(c1)[C@@H]1Cc3ccccc3[C@]1(C)N2
InChIInChI=1S/C18H19NO/c1-11-8-13(20-3)10-14-16-9-12-6-4-5-7-15(12)18(16,2)19-17(11)14/h4-8,10,16,19H,9H2,1-3H3/t16-,18-/m0/s1
InChIKeyICHLYSDXEGLLDH-WMZOPIPTSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of (4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole?
The IUPAC name of (4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole (CID 67733864) is (4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole.
What is the SMILES notation for (4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole?
The canonical SMILES for (4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole is COc1cc(C)c2c(c1)[C@@H]1Cc3ccccc3[C@]1(C)N2.
What is the InChIKey of (4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole?
The InChIKey is ICHLYSDXEGLLDH-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H19NO/c1-11-8-13(20-3)10-14-16-9-12-6-4-5-7-15(12)18(16,2)19-17(11)14/h4-8,10,16,19H,9H2,1-3H3/t16-,18-/m0/s1.
What are the key properties of (4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole?
(4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole has a molecular weight of 265.36 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole is sourced from PubChem (CID 67733864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).