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

C15H15BrN2O2 — CID 15956432

IUPAC(2'S,3S)-5-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C([C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12)N1CCCC1
InChIInChI=1S/C15H15BrN2O2/c16-9-3-4-12-10(7-9)15(14(20)17-12)8-11(15)13(19)18-5-1-2-6-18/h3-4,7,11H,1-2,5-6,8H2,(H,17,20)/t11-,15-/m1/s1
InChIKeyKXSWLJWRFXTBQF-IAQYHMDHSA-N
MW335.20 g/mol
LogP2.28
Rot. Bonds1

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

(2'S,3S)-5-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956432) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is (2'S,3S)-5-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956432
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name(2'S,3S)-5-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C([C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12)N1CCCC1
InChIInChI=1S/C15H15BrN2O2/c16-9-3-4-12-10(7-9)15(14(20)17-12)8-11(15)13(19)18-5-1-2-6-18/h3-4,7,11H,1-2,5-6,8H2,(H,17,20)/t11-,15-/m1/s1
InChIKeyKXSWLJWRFXTBQF-IAQYHMDHSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-5-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956432) is (2'S,3S)-5-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C([C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12)N1CCCC1.
What is the InChIKey of (2'S,3S)-5-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is KXSWLJWRFXTBQF-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-9-3-4-12-10(7-9)15(14(20)17-12)8-11(15)13(19)18-5-1-2-6-18/h3-4,7,11H,1-2,5-6,8H2,(H,17,20)/t11-,15-/m1/s1.
What are the key properties of (2'S,3S)-5-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 335.20 g/mol, XLogP of 2.28, 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-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).