(1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide

C15H17BrN2O2 — CID 15956431

IUPAC(1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
SMILESCCN(CC)C(=O)[C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12
InChIInChI=1S/C15H17BrN2O2/c1-3-18(4-2)13(19)11-8-15(11)10-7-9(16)5-6-12(10)17-14(15)20/h5-7,11H,3-4,8H2,1-2H3,(H,17,20)/t11-,15-/m1/s1
InChIKeyKHYFFMGSGKAKJC-IAQYHMDHSA-N
MW337.22 g/mol
LogP2.53
Rot. Bonds3

About (1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide

(1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide (PubChem CID 15956431) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is (1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
PubChem CID15956431
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name(1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
SMILESCCN(CC)C(=O)[C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12
InChIInChI=1S/C15H17BrN2O2/c1-3-18(4-2)13(19)11-8-15(11)10-7-9(16)5-6-12(10)17-14(15)20/h5-7,11H,3-4,8H2,1-2H3,(H,17,20)/t11-,15-/m1/s1
InChIKeyKHYFFMGSGKAKJC-IAQYHMDHSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide (CID 15956431) is (1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide is CCN(CC)C(=O)[C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12.
What is the InChIKey of (1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide?
The InChIKey is KHYFFMGSGKAKJC-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-3-18(4-2)13(19)11-8-15(11)10-7-9(16)5-6-12(10)17-14(15)20/h5-7,11H,3-4,8H2,1-2H3,(H,17,20)/t11-,15-/m1/s1.
What are the key properties of (1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide?
(1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 15956431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).