(11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole

C15H17FN2 — CID 118481818

IUPAC(11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole
SMILESCc1cc(F)cc2c3c([nH]c12)C[C@H]1CCCN1C3
InChIInChI=1S/C15H17FN2/c1-9-5-10(16)6-12-13-8-18-4-2-3-11(18)7-14(13)17-15(9)12/h5-6,11,17H,2-4,7-8H2,1H3/t11-/m1/s1
InChIKeyABCFZRVDRUPXQM-LLVKDONJSA-N
MW244.31 g/mol
LogP3.14
Rot. Bonds

About (11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole

(11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole (PubChem CID 118481818) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is (11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole.

Molecular Properties

Compound Name(11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole
PubChem CID118481818
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name(11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole
SMILESCc1cc(F)cc2c3c([nH]c12)C[C@H]1CCCN1C3
InChIInChI=1S/C15H17FN2/c1-9-5-10(16)6-12-13-8-18-4-2-3-11(18)7-14(13)17-15(9)12/h5-6,11,17H,2-4,7-8H2,1H3/t11-/m1/s1
InChIKeyABCFZRVDRUPXQM-LLVKDONJSA-N
XLogP3.14
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole?
The IUPAC name of (11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole (CID 118481818) is (11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole.
What is the SMILES notation for (11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole?
The canonical SMILES for (11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole is Cc1cc(F)cc2c3c([nH]c12)C[C@H]1CCCN1C3.
What is the InChIKey of (11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole?
The InChIKey is ABCFZRVDRUPXQM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17FN2/c1-9-5-10(16)6-12-13-8-18-4-2-3-11(18)7-14(13)17-15(9)12/h5-6,11,17H,2-4,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole?
(11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole has a molecular weight of 244.31 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole is sourced from PubChem (CID 118481818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).