(5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one

C22H17BrN2O — CID 122394633

IUPAC(5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one
SMILESCN1C(=O)[C@]2(c3cc(Br)ccc31)[C@H](c1ccccc1)C=Cc1cccn12
InChIInChI=1S/C22H17BrN2O/c1-24-20-12-9-16(23)14-19(20)22(21(24)26)18(15-6-3-2-4-7-15)11-10-17-8-5-13-25(17)22/h2-14,18H,1H3/t18-,22+/m0/s1
InChIKeySLEWMCNNBHJYDM-PGRDOPGGSA-N
MW405.30 g/mol
LogP4.78
Rot. Bonds1

About (5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one

(5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one (PubChem CID 122394633) has the molecular formula C22H17BrN2O and a molecular weight of 405.30 g/mol. Its IUPAC name is (5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one.

Molecular Properties

Compound Name(5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one
PubChem CID122394633
Molecular FormulaC22H17BrN2O
Molecular Weight405.30 g/mol
Exact Mass404.05
IUPAC Name(5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one
SMILESCN1C(=O)[C@]2(c3cc(Br)ccc31)[C@H](c1ccccc1)C=Cc1cccn12
InChIInChI=1S/C22H17BrN2O/c1-24-20-12-9-16(23)14-19(20)22(21(24)26)18(15-6-3-2-4-7-15)11-10-17-8-5-13-25(17)22/h2-14,18H,1H3/t18-,22+/m0/s1
InChIKeySLEWMCNNBHJYDM-PGRDOPGGSA-N
XLogP4.78
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one?
The IUPAC name of (5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one (CID 122394633) is (5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one.
What is the SMILES notation for (5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one?
The canonical SMILES for (5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one is CN1C(=O)[C@]2(c3cc(Br)ccc31)[C@H](c1ccccc1)C=Cc1cccn12.
What is the InChIKey of (5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one?
The InChIKey is SLEWMCNNBHJYDM-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H17BrN2O/c1-24-20-12-9-16(23)14-19(20)22(21(24)26)18(15-6-3-2-4-7-15)11-10-17-8-5-13-25(17)22/h2-14,18H,1H3/t18-,22+/m0/s1.
What are the key properties of (5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one?
(5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one has a molecular weight of 405.30 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5'-bromo-1'-methyl-6-phenylspiro[6H-indolizine-5,3'-indole]-2'-one is sourced from PubChem (CID 122394633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).