(2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one

C14H9BrClNO2 — CID 15956362

IUPAC(2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccc(Br)o1
InChIInChI=1S/C14H9BrClNO2/c15-12-4-3-11(19-12)9-6-14(9)8-5-7(16)1-2-10(8)17-13(14)18/h1-5,9H,6H2,(H,17,18)/t9-,14-/m1/s1
InChIKeyRUBILDWFLIMKCL-YMTOWFKASA-N
MW338.59 g/mol
LogP4.07
Rot. Bonds1

About (2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956362) has the molecular formula C14H9BrClNO2 and a molecular weight of 338.59 g/mol. Its IUPAC name is (2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956362
Molecular FormulaC14H9BrClNO2
Molecular Weight338.59 g/mol
Exact Mass336.95
IUPAC Name(2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccc(Br)o1
InChIInChI=1S/C14H9BrClNO2/c15-12-4-3-11(19-12)9-6-14(9)8-5-7(16)1-2-10(8)17-13(14)18/h1-5,9H,6H2,(H,17,18)/t9-,14-/m1/s1
InChIKeyRUBILDWFLIMKCL-YMTOWFKASA-N
XLogP4.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956362) is (2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccc(Br)o1.
What is the InChIKey of (2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is RUBILDWFLIMKCL-YMTOWFKASA-N. The full InChI is InChI=1S/C14H9BrClNO2/c15-12-4-3-11(19-12)9-6-14(9)8-5-7(16)1-2-10(8)17-13(14)18/h1-5,9H,6H2,(H,17,18)/t9-,14-/m1/s1.
What are the key properties of (2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 338.59 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).