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

C18H14N2O — CID 153092935

IUPAC(2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(c1)C=NC2
InChIInChI=1S/C18H14N2O/c21-17-18(14-3-1-2-4-16(14)20-17)8-15(18)11-5-6-12-9-19-10-13(12)7-11/h1-7,10,15H,8-9H2,(H,20,21)/t15-,18-/m0/s1
InChIKeyVPNGZRXVSDVZON-YJBOKZPZSA-N
MW274.32 g/mol
LogP3.00
Rot. Bonds1

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

(2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 153092935) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is (2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID153092935
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name(2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(c1)C=NC2
InChIInChI=1S/C18H14N2O/c21-17-18(14-3-1-2-4-16(14)20-17)8-15(18)11-5-6-12-9-19-10-13(12)7-11/h1-7,10,15H,8-9H2,(H,20,21)/t15-,18-/m0/s1
InChIKeyVPNGZRXVSDVZON-YJBOKZPZSA-N
XLogP3.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 68633794
(2'S,3S)-2'-(3-iodo-2H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 99936708
2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 90981098
2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 3882374
(2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979078
5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 71200943
(2'S,3R)-2'-[3-(2-pyridin-3-ylethenyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 67449518
(2'R,3S)-2'-(3-bromophenyl)-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979181
4-[(E)-2-[6-[(1'S,3R)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]ethenyl]benzonitrile
CID 67445795
(2'S,3R)-2'-(4-methylphenyl)-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979195
(2'S,3R)-2'-[3-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486240
(1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
CID 134951476

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 153092935) is (2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(c1)C=NC2.
What is the InChIKey of (2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is VPNGZRXVSDVZON-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H14N2O/c21-17-18(14-3-1-2-4-16(14)20-17)8-15(18)11-5-6-12-9-19-10-13(12)7-11/h1-7,10,15H,8-9H2,(H,20,21)/t15-,18-/m0/s1.
What are the key properties of (2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 274.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 153092935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).