5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one

C15H15BrN2O2 — CID 131964967

IUPAC5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESO=C(C1CC1)N1CCCC12C(=O)Nc1ccc(Br)cc12
InChIInChI=1S/C15H15BrN2O2/c16-10-4-5-12-11(8-10)15(14(20)17-12)6-1-7-18(15)13(19)9-2-3-9/h4-5,8-9H,1-3,6-7H2,(H,17,20)
InChIKeyPWIGXILOWJVWHE-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.63
Rot. Bonds1

About 5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one

5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 131964967) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID131964967
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESO=C(C1CC1)N1CCCC12C(=O)Nc1ccc(Br)cc12
InChIInChI=1S/C15H15BrN2O2/c16-10-4-5-12-11(8-10)15(14(20)17-12)6-1-7-18(15)13(19)9-2-3-9/h4-5,8-9H,1-3,6-7H2,(H,17,20)
InChIKeyPWIGXILOWJVWHE-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-bromo-N-ethyl-2-oxospiro[1H-indole-3,3'-5,6,7,8-tetrahydropyrrolizine]-2'-carboxamide
CID 72696968
5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane
CID 145209276
5'-bromo-N-(4-methoxyphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 73400372
(3S)-5-bromo-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
CID 752249
5'-bromospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
CID 1262495
5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)-1H-indole-3-carboxamide
CID 164625809
6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 66958239
[(3aR,4R,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopropylmethanone
CID 54666214
(3R)-5-bromo-2'-butanoylspiro[1H-indole-3,1'-4,9-dihydro-3H-pyrido[3,4-b]indole]-2-one
CID 40854034
(2'R,3S)-2'-(3-bromophenyl)-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979181
(3S)-5-bromo-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one
CID 1425696
methyl 2-(5-bromo-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl)acetate
CID 15956437

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of 5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 131964967) is 5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for 5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for 5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one is O=C(C1CC1)N1CCCC12C(=O)Nc1ccc(Br)cc12.
What is the InChIKey of 5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is PWIGXILOWJVWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-10-4-5-12-11(8-10)15(14(20)17-12)6-1-7-18(15)13(19)9-2-3-9/h4-5,8-9H,1-3,6-7H2,(H,17,20).
What are the key properties of 5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 335.20 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1'-(cyclopropanecarbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 131964967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).