1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one

C15H22N2O — CID 114993317

IUPAC1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one
SMILESCC(C)CNCCCN1C(=O)Cc2ccccc21
InChIInChI=1S/C15H22N2O/c1-12(2)11-16-8-5-9-17-14-7-4-3-6-13(14)10-15(17)18/h3-4,6-7,12,16H,5,8-11H2,1-2H3
InChIKeyQUBZLYGWPYBMAE-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.21
Rot. Bonds6

About 1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one

1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one (PubChem CID 114993317) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one
PubChem CID114993317
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one
SMILESCC(C)CNCCCN1C(=O)Cc2ccccc21
InChIInChI=1S/C15H22N2O/c1-12(2)11-16-8-5-9-17-14-7-4-3-6-13(14)10-15(17)18/h3-4,6-7,12,16H,5,8-11H2,1-2H3
InChIKeyQUBZLYGWPYBMAE-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-aminohexyl)-3H-indol-2-one
CID 114993593
1-(3-hydroxybutyl)-3H-indol-2-one
CID 82239875
1-(4-oxopentyl)-3H-indol-2-one
CID 114999184
2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride
CID 119745286
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099
1-(2-methoxyethyl)-3H-indol-2-one
CID 58486241
5-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide
CID 110730099
2-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide
CID 110730109
1-[3-(2-methylpropylamino)propyl]pyridin-2-one
CID 62564337
1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388037
N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide
CID 110730098

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one?
The IUPAC name of 1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one (CID 114993317) is 1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one.
What is the SMILES notation for 1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one?
The canonical SMILES for 1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one is CC(C)CNCCCN1C(=O)Cc2ccccc21.
What is the InChIKey of 1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one?
The InChIKey is QUBZLYGWPYBMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(2)11-16-8-5-9-17-14-7-4-3-6-13(14)10-15(17)18/h3-4,6-7,12,16H,5,8-11H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one?
1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one is sourced from PubChem (CID 114993317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).