5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one

C15H22N2O — CID 82172165

IUPAC5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one
SMILESCCN1C(=O)C(C)c2cc(C(N)C(C)C)ccc21
InChIInChI=1S/C15H22N2O/c1-5-17-13-7-6-11(14(16)9(2)3)8-12(13)10(4)15(17)18/h6-10,14H,5,16H2,1-4H3
InChIKeyYDHQWNPBGZVUCC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.81
Rot. Bonds3

About 5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one

5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one (PubChem CID 82172165) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one
PubChem CID82172165
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one
SMILESCCN1C(=O)C(C)c2cc(C(N)C(C)C)ccc21
InChIInChI=1S/C15H22N2O/c1-5-17-13-7-6-11(14(16)9(2)3)8-12(13)10(4)15(17)18/h6-10,14H,5,16H2,1-4H3
InChIKeyYDHQWNPBGZVUCC-UHFFFAOYSA-N
XLogP2.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one?
The IUPAC name of 5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one (CID 82172165) is 5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one?
The canonical SMILES for 5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one is CCN1C(=O)C(C)c2cc(C(N)C(C)C)ccc21.
What is the InChIKey of 5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one?
The InChIKey is YDHQWNPBGZVUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-17-13-7-6-11(14(16)9(2)3)8-12(13)10(4)15(17)18/h6-10,14H,5,16H2,1-4H3.
What are the key properties of 5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one?
5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one is sourced from PubChem (CID 82172165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).