3-butan-2-yl-4-chloro-1-cyclopropylindole

C15H18ClN — CID 123992732

IUPAC3-butan-2-yl-4-chloro-1-cyclopropylindole
SMILESCCC(C)c1cn(C2CC2)c2cccc(Cl)c12
InChIInChI=1S/C15H18ClN/c1-3-10(2)12-9-17(11-7-8-11)14-6-4-5-13(16)15(12)14/h4-6,9-11H,3,7-8H2,1-2H3
InChIKeyKCPKZHYBBDCUEQ-UHFFFAOYSA-N
MW247.77 g/mol
LogP5.14
Rot. Bonds3

About 3-butan-2-yl-4-chloro-1-cyclopropylindole

3-butan-2-yl-4-chloro-1-cyclopropylindole (PubChem CID 123992732) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is 3-butan-2-yl-4-chloro-1-cyclopropylindole.

Molecular Properties

Compound Name3-butan-2-yl-4-chloro-1-cyclopropylindole
PubChem CID123992732
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name3-butan-2-yl-4-chloro-1-cyclopropylindole
SMILESCCC(C)c1cn(C2CC2)c2cccc(Cl)c12
InChIInChI=1S/C15H18ClN/c1-3-10(2)12-9-17(11-7-8-11)14-6-4-5-13(16)15(12)14/h4-6,9-11H,3,7-8H2,1-2H3
InChIKeyKCPKZHYBBDCUEQ-UHFFFAOYSA-N
XLogP5.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.77
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(4-chloro-1-methylsulfonylindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4-chloro-1-cyclopropylindole?
The IUPAC name of 3-butan-2-yl-4-chloro-1-cyclopropylindole (CID 123992732) is 3-butan-2-yl-4-chloro-1-cyclopropylindole.
What is the SMILES notation for 3-butan-2-yl-4-chloro-1-cyclopropylindole?
The canonical SMILES for 3-butan-2-yl-4-chloro-1-cyclopropylindole is CCC(C)c1cn(C2CC2)c2cccc(Cl)c12.
What is the InChIKey of 3-butan-2-yl-4-chloro-1-cyclopropylindole?
The InChIKey is KCPKZHYBBDCUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN/c1-3-10(2)12-9-17(11-7-8-11)14-6-4-5-13(16)15(12)14/h4-6,9-11H,3,7-8H2,1-2H3.
What are the key properties of 3-butan-2-yl-4-chloro-1-cyclopropylindole?
3-butan-2-yl-4-chloro-1-cyclopropylindole has a molecular weight of 247.77 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4-chloro-1-cyclopropylindole is sourced from PubChem (CID 123992732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).