(11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole

C16H20N2O — CID 118481806

IUPAC(11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole
SMILESCOc1cc2[nH]c3c(c2cc1C)[C@H]1CCCN1CC3
InChIInChI=1S/C16H20N2O/c1-10-8-11-13(9-15(10)19-2)17-12-5-7-18-6-3-4-14(18)16(11)12/h8-9,14,17H,3-7H2,1-2H3/t14-/m1/s1
InChIKeyMEVZVDAFNOQEJR-CQSZACIVSA-N
MW256.35 g/mol
LogP3.18
Rot. Bonds1

About (11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole

(11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole (PubChem CID 118481806) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole.

Molecular Properties

Compound Name(11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole
PubChem CID118481806
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole
SMILESCOc1cc2[nH]c3c(c2cc1C)[C@H]1CCCN1CC3
InChIInChI=1S/C16H20N2O/c1-10-8-11-13(9-15(10)19-2)17-12-5-7-18-6-3-4-14(18)16(11)12/h8-9,14,17H,3-7H2,1-2H3/t14-/m1/s1
InChIKeyMEVZVDAFNOQEJR-CQSZACIVSA-N
XLogP3.18
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole?
The IUPAC name of (11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole (CID 118481806) is (11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole.
What is the SMILES notation for (11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole?
The canonical SMILES for (11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole is COc1cc2[nH]c3c(c2cc1C)[C@H]1CCCN1CC3.
What is the InChIKey of (11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole?
The InChIKey is MEVZVDAFNOQEJR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-8-11-13(9-15(10)19-2)17-12-5-7-18-6-3-4-14(18)16(11)12/h8-9,14,17H,3-7H2,1-2H3/t14-/m1/s1.
What are the key properties of (11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole?
(11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole has a molecular weight of 256.35 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11cR)-9-methoxy-10-methyl-2,3,5,6,7,11c-hexahydro-1H-indolizino[7,8-b]indole is sourced from PubChem (CID 118481806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).