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

C16H12ClNO — CID 15956377

IUPAC(2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccccc1
InChIInChI=1S/C16H12ClNO/c17-11-6-7-14-12(8-11)16(15(19)18-14)9-13(16)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,18,19)/t13-,16-/m1/s1
InChIKeySVHBOFSQCAOODS-CZUORRHYSA-N
MW269.73 g/mol
LogP3.72
Rot. Bonds1

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

(2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956377) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is (2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956377
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name(2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccccc1
InChIInChI=1S/C16H12ClNO/c17-11-6-7-14-12(8-11)16(15(19)18-14)9-13(16)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,18,19)/t13-,16-/m1/s1
InChIKeySVHBOFSQCAOODS-CZUORRHYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956377) is (2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccccc1.
What is the InChIKey of (2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is SVHBOFSQCAOODS-CZUORRHYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-11-6-7-14-12(8-11)16(15(19)18-14)9-13(16)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,18,19)/t13-,16-/m1/s1.
What are the key properties of (2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 269.73 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).