(2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C21H15ClN2O — CID 15956397

IUPAC(2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(-c2ccccc2)n1
InChIInChI=1S/C21H15ClN2O/c22-14-9-10-19-15(11-14)21(20(25)24-19)12-16(21)18-8-4-7-17(23-18)13-5-2-1-3-6-13/h1-11,16H,12H2,(H,24,25)/t16-,21-/m1/s1
InChIKeyRAKDWRKORKWPNZ-IIBYNOLFSA-N
MW346.82 g/mol
LogP4.78
Rot. Bonds2

About (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956397) has the molecular formula C21H15ClN2O and a molecular weight of 346.82 g/mol. Its IUPAC name is (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956397
Molecular FormulaC21H15ClN2O
Molecular Weight346.82 g/mol
Exact Mass346.09
IUPAC Name(2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(-c2ccccc2)n1
InChIInChI=1S/C21H15ClN2O/c22-14-9-10-19-15(11-14)21(20(25)24-19)12-16(21)18-8-4-7-17(23-18)13-5-2-1-3-6-13/h1-11,16H,12H2,(H,24,25)/t16-,21-/m1/s1
InChIKeyRAKDWRKORKWPNZ-IIBYNOLFSA-N
XLogP4.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956397) is (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(-c2ccccc2)n1.
What is the InChIKey of (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is RAKDWRKORKWPNZ-IIBYNOLFSA-N. The full InChI is InChI=1S/C21H15ClN2O/c22-14-9-10-19-15(11-14)21(20(25)24-19)12-16(21)18-8-4-7-17(23-18)13-5-2-1-3-6-13/h1-11,16H,12H2,(H,24,25)/t16-,21-/m1/s1.
What are the key properties of (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 346.82 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-5-chloro-2'-(6-phenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).