2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione

C14H15NO3 — CID 821234

IUPAC2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione
SMILESCC(=O)[C@H](C)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15NO3/c1-9(10(2)16)7-8-15-13(17)11-5-3-4-6-12(11)14(15)18/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
InChIKeySNDHRWACGVKPFQ-SECBINFHSA-N
MW245.28 g/mol
LogP1.90
Rot. Bonds4

About 2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione

2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione (PubChem CID 821234) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione
PubChem CID821234
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione
SMILESCC(=O)[C@H](C)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15NO3/c1-9(10(2)16)7-8-15-13(17)11-5-3-4-6-12(11)14(15)18/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
InChIKeySNDHRWACGVKPFQ-SECBINFHSA-N
XLogP1.90
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione 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

2-[(3R,4S)-3-hydroxy-4-methyl-5-oxohexyl]isoindole-1,3-dione
CID 59923990
2-(5-bromo-6-oxoheptyl)isoindole-1,3-dione
CID 89147876
2-[(2S,3S)-2-hydroxy-3-methyl-4-oxopentyl]isoindole-1,3-dione
CID 139039322
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
propan-2-yl 2-chloro-4-(1,3-dioxoisoindol-2-yl)butanoate
CID 133080817
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2-methylbutanoic acid
CID 80540196
2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione
CID 132513364
(2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide
CID 164676175
2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione
CID 70929216
4-(1,3-dioxoisoindol-2-yl)butan-2-yl methanesulfonate
CID 138695385
2-(5-methylhexadecyl)isoindole-1,3-dione
CID 70431675
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione (CID 821234) is 2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione is CC(=O)[C@H](C)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione?
The InChIKey is SNDHRWACGVKPFQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(10(2)16)7-8-15-13(17)11-5-3-4-6-12(11)14(15)18/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione?
2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione has a molecular weight of 245.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione is sourced from PubChem (CID 821234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).