(2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C16H13ClN2O — CID 15956385

IUPAC(2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCc1cccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)n1
InChIInChI=1S/C16H13ClN2O/c1-9-3-2-4-13(18-9)12-8-16(12)11-7-10(17)5-6-14(11)19-15(16)20/h2-7,12H,8H2,1H3,(H,19,20)/t12-,16-/m1/s1
InChIKeyNGWBNZNRNZYMOD-MLGOLLRUSA-N
MW284.75 g/mol
LogP3.42
Rot. Bonds1

About (2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956385) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is (2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956385
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name(2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCc1cccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)n1
InChIInChI=1S/C16H13ClN2O/c1-9-3-2-4-13(18-9)12-8-16(12)11-7-10(17)5-6-14(11)19-15(16)20/h2-7,12H,8H2,1H3,(H,19,20)/t12-,16-/m1/s1
InChIKeyNGWBNZNRNZYMOD-MLGOLLRUSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one with MolForge

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Related Compounds

EX 527
CID 5113032
SU 5614
CID 6536806
(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 707029
9-Chloro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 383785
(R)-6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 707032
2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide
CID 3995234
2-[5-Chloro-2-(4-fluorophenyl)-1H-indol-3-YL]-N,N-dihexylacetamide
CID 10096284
2-[2-(3-Chloro-phenyl)-1H-indol-3-yl]-N,N-dipropyl-acetamide
CID 10090458
2-[5-Chloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-N,N-dipropyl-acetamide
CID 10453776
2-(5-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-acetamide
CID 10479052
(1S,2S)-5'-chloro-2-(2-pyridyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956383
(1S,2S)-2-(6-bromo-2-pyridyl)-5'-chloro-spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956386

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956385) is (2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is Cc1cccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)n1.
What is the InChIKey of (2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is NGWBNZNRNZYMOD-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-9-3-2-4-13(18-9)12-8-16(12)11-7-10(17)5-6-14(11)19-15(16)20/h2-7,12H,8H2,1H3,(H,19,20)/t12-,16-/m1/s1.
What are the key properties of (2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 284.75 g/mol, XLogP of 3.42, 1 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'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).