3-butyl-7-chloro-3-ethyl-1H-indol-2-one

C14H18ClNO — CID 106702217

IUPAC3-butyl-7-chloro-3-ethyl-1H-indol-2-one
SMILESCCCCC1(CC)C(=O)Nc2c(Cl)cccc21
InChIInChI=1S/C14H18ClNO/c1-3-5-9-14(4-2)10-7-6-8-11(15)12(10)16-13(14)17/h6-8H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyLPKNURADJDBDOO-UHFFFAOYSA-N
MW251.76 g/mol
LogP4.13
Rot. Bonds4

About 3-butyl-7-chloro-3-ethyl-1H-indol-2-one

3-butyl-7-chloro-3-ethyl-1H-indol-2-one (PubChem CID 106702217) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 3-butyl-7-chloro-3-ethyl-1H-indol-2-one.

Molecular Properties

Compound Name3-butyl-7-chloro-3-ethyl-1H-indol-2-one
PubChem CID106702217
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name3-butyl-7-chloro-3-ethyl-1H-indol-2-one
SMILESCCCCC1(CC)C(=O)Nc2c(Cl)cccc21
InChIInChI=1S/C14H18ClNO/c1-3-5-9-14(4-2)10-7-6-8-11(15)12(10)16-13(14)17/h6-8H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyLPKNURADJDBDOO-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-7-chloro-3-ethyl-1H-indol-2-one?
The IUPAC name of 3-butyl-7-chloro-3-ethyl-1H-indol-2-one (CID 106702217) is 3-butyl-7-chloro-3-ethyl-1H-indol-2-one.
What is the SMILES notation for 3-butyl-7-chloro-3-ethyl-1H-indol-2-one?
The canonical SMILES for 3-butyl-7-chloro-3-ethyl-1H-indol-2-one is CCCCC1(CC)C(=O)Nc2c(Cl)cccc21.
What is the InChIKey of 3-butyl-7-chloro-3-ethyl-1H-indol-2-one?
The InChIKey is LPKNURADJDBDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-3-5-9-14(4-2)10-7-6-8-11(15)12(10)16-13(14)17/h6-8H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of 3-butyl-7-chloro-3-ethyl-1H-indol-2-one?
3-butyl-7-chloro-3-ethyl-1H-indol-2-one has a molecular weight of 251.76 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-7-chloro-3-ethyl-1H-indol-2-one is sourced from PubChem (CID 106702217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).