2-nonyl-3H-isoindol-1-one

C17H25NO — CID 132543397

IUPAC2-nonyl-3H-isoindol-1-one
SMILESCCCCCCCCCN1Cc2ccccc2C1=O
InChIInChI=1S/C17H25NO/c1-2-3-4-5-6-7-10-13-18-14-15-11-8-9-12-16(15)17(18)19/h8-9,11-12H,2-7,10,13-14H2,1H3
InChIKeyRMTVDUPZZLSIGA-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.39
Rot. Bonds8

About 2-nonyl-3H-isoindol-1-one

2-nonyl-3H-isoindol-1-one (PubChem CID 132543397) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-nonyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-nonyl-3H-isoindol-1-one
PubChem CID132543397
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-nonyl-3H-isoindol-1-one
SMILESCCCCCCCCCN1Cc2ccccc2C1=O
InChIInChI=1S/C17H25NO/c1-2-3-4-5-6-7-10-13-18-14-15-11-8-9-12-16(15)17(18)19/h8-9,11-12H,2-7,10,13-14H2,1H3
InChIKeyRMTVDUPZZLSIGA-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-nonyl-3H-isoindol-1-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 2-nonyl-3H-isoindol-1-one?
The IUPAC name of 2-nonyl-3H-isoindol-1-one (CID 132543397) is 2-nonyl-3H-isoindol-1-one.
What is the SMILES notation for 2-nonyl-3H-isoindol-1-one?
The canonical SMILES for 2-nonyl-3H-isoindol-1-one is CCCCCCCCCN1Cc2ccccc2C1=O.
What is the InChIKey of 2-nonyl-3H-isoindol-1-one?
The InChIKey is RMTVDUPZZLSIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-3-4-5-6-7-10-13-18-14-15-11-8-9-12-16(15)17(18)19/h8-9,11-12H,2-7,10,13-14H2,1H3.
What are the key properties of 2-nonyl-3H-isoindol-1-one?
2-nonyl-3H-isoindol-1-one has a molecular weight of 259.39 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-3H-isoindol-1-one is sourced from PubChem (CID 132543397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).