(2'S,3S)-5-chloro-2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one

C15H11ClN2O — CID 15956383

IUPAC(2'S,3S)-5-chloro-2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccccn1
InChIInChI=1S/C15H11ClN2O/c16-9-4-5-13-10(7-9)15(14(19)18-13)8-11(15)12-3-1-2-6-17-12/h1-7,11H,8H2,(H,18,19)/t11-,15-/m1/s1
InChIKeyOVZUCEBXPXBRAZ-IAQYHMDHSA-N
MW270.72 g/mol
LogP3.11
Rot. Bonds1

About (2'S,3S)-5-chloro-2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-5-chloro-2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956383) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is (2'S,3S)-5-chloro-2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-chloro-2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956383
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name(2'S,3S)-5-chloro-2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccccn1
InChIInChI=1S/C15H11ClN2O/c16-9-4-5-13-10(7-9)15(14(19)18-13)8-11(15)12-3-1-2-6-17-12/h1-7,11H,8H2,(H,18,19)/t11-,15-/m1/s1
InChIKeyOVZUCEBXPXBRAZ-IAQYHMDHSA-N
XLogP3.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.11
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'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-chloro-2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956383) is (2'S,3S)-5-chloro-2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-chloro-2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-chloro-2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccccn1.
What is the InChIKey of (2'S,3S)-5-chloro-2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is OVZUCEBXPXBRAZ-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-9-4-5-13-10(7-9)15(14(19)18-13)8-11(15)12-3-1-2-6-17-12/h1-7,11H,8H2,(H,18,19)/t11-,15-/m1/s1.
What are the key properties of (2'S,3S)-5-chloro-2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-chloro-2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 270.72 g/mol, XLogP of 3.11, 1 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'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).