3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one

C14H20N2O — CID 114993591

IUPAC3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one
SMILESCNC1C(=O)N(CCC(C)C)c2ccccc21
InChIInChI=1S/C14H20N2O/c1-10(2)8-9-16-12-7-5-4-6-11(12)13(15-3)14(16)17/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyLIEVSXQJWXCZJO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.34
Rot. Bonds4

About 3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one

3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one (PubChem CID 114993591) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one
PubChem CID114993591
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one
SMILESCNC1C(=O)N(CCC(C)C)c2ccccc21
InChIInChI=1S/C14H20N2O/c1-10(2)8-9-16-12-7-5-4-6-11(12)13(15-3)14(16)17/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyLIEVSXQJWXCZJO-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one?
The IUPAC name of 3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one (CID 114993591) is 3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one.
What is the SMILES notation for 3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one?
The canonical SMILES for 3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one is CNC1C(=O)N(CCC(C)C)c2ccccc21.
What is the InChIKey of 3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one?
The InChIKey is LIEVSXQJWXCZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)8-9-16-12-7-5-4-6-11(12)13(15-3)14(16)17/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of 3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one?
3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one is sourced from PubChem (CID 114993591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).