(5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole

C18H19NO — CID 67733815

IUPAC(5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole
SMILESCOc1cc(C)c2c(c1)[C@H]1c3ccccc3N[C@@]1(C)C2
InChIInChI=1S/C18H19NO/c1-11-8-12(20-3)9-14-15(11)10-18(2)17(14)13-6-4-5-7-16(13)19-18/h4-9,17,19H,10H2,1-3H3/t17-,18+/m1/s1
InChIKeySOBWUKDPRAXOIZ-MSOLQXFVSA-N
MW265.36 g/mol
LogP3.88
Rot. Bonds1

About (5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole

(5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole (PubChem CID 67733815) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole.

Molecular Properties

Compound Name(5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole
PubChem CID67733815
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole
SMILESCOc1cc(C)c2c(c1)[C@H]1c3ccccc3N[C@@]1(C)C2
InChIInChI=1S/C18H19NO/c1-11-8-12(20-3)9-14-15(11)10-18(2)17(14)13-6-4-5-7-16(13)19-18/h4-9,17,19H,10H2,1-3H3/t17-,18+/m1/s1
InChIKeySOBWUKDPRAXOIZ-MSOLQXFVSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole?
The IUPAC name of (5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole (CID 67733815) is (5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole.
What is the SMILES notation for (5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole?
The canonical SMILES for (5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole is COc1cc(C)c2c(c1)[C@H]1c3ccccc3N[C@@]1(C)C2.
What is the InChIKey of (5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole?
The InChIKey is SOBWUKDPRAXOIZ-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H19NO/c1-11-8-12(20-3)9-14-15(11)10-18(2)17(14)13-6-4-5-7-16(13)19-18/h4-9,17,19H,10H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of (5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole?
(5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole has a molecular weight of 265.36 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,10bS)-9-methoxy-5a,7-dimethyl-6,10b-dihydro-5H-indeno[2,1-b]indole is sourced from PubChem (CID 67733815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).