5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one

C14H16BrNO — CID 15956438

IUPAC5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCCCCC1CC12C(=O)Nc1ccc(Br)cc12
InChIInChI=1S/C14H16BrNO/c1-2-3-4-9-8-14(9)11-7-10(15)5-6-12(11)16-13(14)17/h5-7,9H,2-4,8H2,1H3,(H,16,17)
InChIKeyBWZBCYATSZRUOG-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.85
Rot. Bonds3

About 5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one

5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956438) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956438
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCCCCC1CC12C(=O)Nc1ccc(Br)cc12
InChIInChI=1S/C14H16BrNO/c1-2-3-4-9-8-14(9)11-7-10(15)5-6-12(11)16-13(14)17/h5-7,9H,2-4,8H2,1H3,(H,16,17)
InChIKeyBWZBCYATSZRUOG-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956438) is 5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one is CCCCC1CC12C(=O)Nc1ccc(Br)cc12.
What is the InChIKey of 5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is BWZBCYATSZRUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-2-3-4-9-8-14(9)11-7-10(15)5-6-12(11)16-13(14)17/h5-7,9H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one?
5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 294.19 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2'-butylspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).