(2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C17H14ClNO2 — CID 15956379

IUPAC(2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)cc1
InChIInChI=1S/C17H14ClNO2/c1-21-12-5-2-10(3-6-12)14-9-17(14)13-8-11(18)4-7-15(13)19-16(17)20/h2-8,14H,9H2,1H3,(H,19,20)/t14-,17-/m1/s1
InChIKeyKEBOIFJBKNJUQR-RHSMWYFYSA-N
MW299.76 g/mol
LogP3.73
Rot. Bonds2

About (2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

(2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956379) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956379
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name(2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)cc1
InChIInChI=1S/C17H14ClNO2/c1-21-12-5-2-10(3-6-12)14-9-17(14)13-8-11(18)4-7-15(13)19-16(17)20/h2-8,14H,9H2,1H3,(H,19,20)/t14-,17-/m1/s1
InChIKeyKEBOIFJBKNJUQR-RHSMWYFYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956379) is (2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is COc1ccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)cc1.
What is the InChIKey of (2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is KEBOIFJBKNJUQR-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-21-12-5-2-10(3-6-12)14-9-17(14)13-8-11(18)4-7-15(13)19-16(17)20/h2-8,14H,9H2,1H3,(H,19,20)/t14-,17-/m1/s1.
What are the key properties of (2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 299.76 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).