6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one

C16H23N3O — CID 63632477

IUPAC6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N(C)CC3CCCC3)ccc21
InChIInChI=1S/C16H23N3O/c1-17-15-13-8-7-12(9-14(13)18-16(15)20)19(2)10-11-5-3-4-6-11/h7-9,11,15,17H,3-6,10H2,1-2H3,(H,18,20)
InChIKeyWLCZPJHVGUKLRO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.53
Rot. Bonds4

About 6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one

6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 63632477) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID63632477
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N(C)CC3CCCC3)ccc21
InChIInChI=1S/C16H23N3O/c1-17-15-13-8-7-12(9-14(13)18-16(15)20)19(2)10-11-5-3-4-6-11/h7-9,11,15,17H,3-6,10H2,1-2H3,(H,18,20)
InChIKeyWLCZPJHVGUKLRO-UHFFFAOYSA-N
XLogP2.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-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

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one (CID 63632477) is 6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(N(C)CC3CCCC3)ccc21.
What is the InChIKey of 6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is WLCZPJHVGUKLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-17-15-13-8-7-12(9-14(13)18-16(15)20)19(2)10-11-5-3-4-6-11/h7-9,11,15,17H,3-6,10H2,1-2H3,(H,18,20).
What are the key properties of 6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63632477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).