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

C18H12ClNO2 — CID 15956364

IUPAC(2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cc2ccccc2o1
InChIInChI=1S/C18H12ClNO2/c19-11-5-6-14-12(8-11)18(17(21)20-14)9-13(18)16-7-10-3-1-2-4-15(10)22-16/h1-8,13H,9H2,(H,20,21)/t13-,18-/m1/s1
InChIKeyOPDMZVISKAWHLG-FZKQIMNGSA-N
MW309.75 g/mol
LogP4.46
Rot. Bonds1

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

(2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956364) has the molecular formula C18H12ClNO2 and a molecular weight of 309.75 g/mol. Its IUPAC name is (2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956364
Molecular FormulaC18H12ClNO2
Molecular Weight309.75 g/mol
Exact Mass309.06
IUPAC Name(2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cc2ccccc2o1
InChIInChI=1S/C18H12ClNO2/c19-11-5-6-14-12(8-11)18(17(21)20-14)9-13(18)16-7-10-3-1-2-4-15(10)22-16/h1-8,13H,9H2,(H,20,21)/t13-,18-/m1/s1
InChIKeyOPDMZVISKAWHLG-FZKQIMNGSA-N
XLogP4.46
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one with MolForge

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Related Compounds

N1-[4-(5-chlorobenzo[b]furan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 2725761
(1S,2S)-5'-chloro-2-(2-furyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956358
(1S,2S)-5'-chloro-2-(5-methyl-2-furyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956359
(1S,2S)-5'-chloro-2-(4,5-dimethyl-2-furyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956360
(1S,2S)-5'-chloro-2-(5-ethyl-2-furyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956361
(1S,2S)-2-(5-bromo-2-furyl)-5'-chloro-spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956362
(1S,2S)-5'-chloro-2-[5-[3-(trifluoromethyl)phenyl]-2-furyl]spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956363
ethyl (1'S,3'S)-5-chloro-3'-(3,4-dimethoxybenzoyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 122194588
ethyl (1'S)-5-chloro-3'-(4-methoxybenzoyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 122194589
N-[2-(4-chlorophenyl)-1-benzofuran-5-yl]-2-methylpropanamide
CID 53237904
N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2671348
2-chloro[1]benzofuro[3,2-c]quinolin-6(5H)-one
CID 14387311

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956364) is (2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cc2ccccc2o1.
What is the InChIKey of (2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is OPDMZVISKAWHLG-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H12ClNO2/c19-11-5-6-14-12(8-11)18(17(21)20-14)9-13(18)16-7-10-3-1-2-4-15(10)22-16/h1-8,13H,9H2,(H,20,21)/t13-,18-/m1/s1.
What are the key properties of (2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 309.75 g/mol, XLogP of 4.46, 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'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).