(2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C16H14ClNO2 — CID 15956361

IUPAC(2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCCc1ccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)o1
InChIInChI=1S/C16H14ClNO2/c1-2-10-4-6-14(20-10)12-8-16(12)11-7-9(17)3-5-13(11)18-15(16)19/h3-7,12H,2,8H2,1H3,(H,18,19)/t12-,16-/m1/s1
InChIKeyGDEHBJZBISWIFA-MLGOLLRUSA-N
MW287.75 g/mol
LogP3.87
Rot. Bonds2

About (2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956361) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956361
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCCc1ccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)o1
InChIInChI=1S/C16H14ClNO2/c1-2-10-4-6-14(20-10)12-8-16(12)11-7-9(17)3-5-13(11)18-15(16)19/h3-7,12H,2,8H2,1H3,(H,18,19)/t12-,16-/m1/s1
InChIKeyGDEHBJZBISWIFA-MLGOLLRUSA-N
XLogP3.87
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.87
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'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956361) is (2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is CCc1ccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)o1.
What is the InChIKey of (2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is GDEHBJZBISWIFA-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-2-10-4-6-14(20-10)12-8-16(12)11-7-9(17)3-5-13(11)18-15(16)19/h3-7,12H,2,8H2,1H3,(H,18,19)/t12-,16-/m1/s1.
What are the key properties of (2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 287.75 g/mol, XLogP of 3.87, 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'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).