2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one

C14H16ClNO — CID 90935335

IUPAC2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCCCCC1CC12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C14H16ClNO/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)
InChIKeyBGHZSGMTGBODRY-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.74
Rot. Bonds3

About 2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one

2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 90935335) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID90935335
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCCCCC1CC12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C14H16ClNO/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)
InChIKeyBGHZSGMTGBODRY-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one (CID 90935335) is 2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one is CCCCC1CC12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of 2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is BGHZSGMTGBODRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/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 2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one?
2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 249.74 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 90935335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).