5-amino-1-(4-oxopentyl)-3H-indol-2-one

C13H16N2O2 — CID 115236208

IUPAC5-amino-1-(4-oxopentyl)-3H-indol-2-one
SMILESCC(=O)CCCN1C(=O)Cc2cc(N)ccc21
InChIInChI=1S/C13H16N2O2/c1-9(16)3-2-6-15-12-5-4-11(14)7-10(12)8-13(15)17/h4-5,7H,2-3,6,8,14H2,1H3
InChIKeyWHTCCEPMBGVXDV-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.53
Rot. Bonds4

About 5-amino-1-(4-oxopentyl)-3H-indol-2-one

5-amino-1-(4-oxopentyl)-3H-indol-2-one (PubChem CID 115236208) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-amino-1-(4-oxopentyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-amino-1-(4-oxopentyl)-3H-indol-2-one
PubChem CID115236208
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-amino-1-(4-oxopentyl)-3H-indol-2-one
SMILESCC(=O)CCCN1C(=O)Cc2cc(N)ccc21
InChIInChI=1S/C13H16N2O2/c1-9(16)3-2-6-15-12-5-4-11(14)7-10(12)8-13(15)17/h4-5,7H,2-3,6,8,14H2,1H3
InChIKeyWHTCCEPMBGVXDV-UHFFFAOYSA-N
XLogP1.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-1-(4-oxopentyl)-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

5-amino-1-(3-oxobutyl)-3H-indol-2-one
CID 115235380
4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide
CID 63892495
5-amino-1-decyl-3H-indol-2-one
CID 62221874
5-amino-1-nonyl-3H-indol-2-one
CID 43446434
1-(4-oxopentyl)-3H-indol-2-one
CID 114999184
1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one
CID 84758277
5-amino-1-(sulfanylmethyl)-3H-indol-2-one
CID 115227602
5-amino-1-(3,3,3-trifluoropropyl)-3H-indol-2-one
CID 64553558
4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide
CID 63892702
1-acetyl-5-amino-3H-indol-2-one
CID 12046998
6-chloro-1-(5-oxohexyl)-3H-indol-2-one
CID 62017686
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43446567

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-oxopentyl)-3H-indol-2-one?
The IUPAC name of 5-amino-1-(4-oxopentyl)-3H-indol-2-one (CID 115236208) is 5-amino-1-(4-oxopentyl)-3H-indol-2-one.
What is the SMILES notation for 5-amino-1-(4-oxopentyl)-3H-indol-2-one?
The canonical SMILES for 5-amino-1-(4-oxopentyl)-3H-indol-2-one is CC(=O)CCCN1C(=O)Cc2cc(N)ccc21.
What is the InChIKey of 5-amino-1-(4-oxopentyl)-3H-indol-2-one?
The InChIKey is WHTCCEPMBGVXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(16)3-2-6-15-12-5-4-11(14)7-10(12)8-13(15)17/h4-5,7H,2-3,6,8,14H2,1H3.
What are the key properties of 5-amino-1-(4-oxopentyl)-3H-indol-2-one?
5-amino-1-(4-oxopentyl)-3H-indol-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-oxopentyl)-3H-indol-2-one is sourced from PubChem (CID 115236208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).