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

C17H13ClN2O — CID 15956388

IUPAC(2'S,3S)-5-chloro-2'-(6-ethenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESC=Cc1cccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)n1
InChIInChI=1S/C17H13ClN2O/c1-2-11-4-3-5-14(19-11)13-9-17(13)12-8-10(18)6-7-15(12)20-16(17)21/h2-8,13H,1,9H2,(H,20,21)/t13-,17-/m1/s1
InChIKeyPVDWOORAPDGNDR-CXAGYDPISA-N
MW296.76 g/mol
LogP3.76
Rot. Bonds2

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

(2'S,3S)-5-chloro-2'-(6-ethenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956388) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is (2'S,3S)-5-chloro-2'-(6-ethenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-chloro-2'-(6-ethenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956388
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name(2'S,3S)-5-chloro-2'-(6-ethenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESC=Cc1cccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)n1
InChIInChI=1S/C17H13ClN2O/c1-2-11-4-3-5-14(19-11)13-9-17(13)12-8-10(18)6-7-15(12)20-16(17)21/h2-8,13H,1,9H2,(H,20,21)/t13-,17-/m1/s1
InChIKeyPVDWOORAPDGNDR-CXAGYDPISA-N
XLogP3.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2'S,3S)-5-chloro-2'-(6-ethenyl-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-[2-(3-Chloro-phenyl)-1H-indol-3-yl]-N,N-dipropyl-acetamide
CID 10090458
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)-5'-chloro-2-(6-methyl-2-pyridyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956385
(1S,2S)-2-(6-bromo-2-pyridyl)-5'-chloro-spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956386
(1S,2S)-2-(5-bromo-2-pyridyl)-5'-chloro-spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956387
6-[(1S,2S)-5'-chloro-2'-oxo-spiro[cyclopropane-2,3'-indoline]-1-yl]-2-methylsulfanyl-pyridine-3-carbonitrile
CID 15956389

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-5-chloro-2'-(6-ethenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-chloro-2'-(6-ethenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956388) is (2'S,3S)-5-chloro-2'-(6-ethenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-chloro-2'-(6-ethenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-chloro-2'-(6-ethenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is C=Cc1cccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)n1.
What is the InChIKey of (2'S,3S)-5-chloro-2'-(6-ethenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is PVDWOORAPDGNDR-CXAGYDPISA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-2-11-4-3-5-14(19-11)13-9-17(13)12-8-10(18)6-7-15(12)20-16(17)21/h2-8,13H,1,9H2,(H,20,21)/t13-,17-/m1/s1.
What are the key properties of (2'S,3S)-5-chloro-2'-(6-ethenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-chloro-2'-(6-ethenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 296.76 g/mol, XLogP of 3.76, 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'-(6-ethenyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).