1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one

C13H16N2O — CID 105358356

IUPAC1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc2c(c1)CNC2
InChIInChI=1S/C13H16N2O/c16-13-2-1-5-15(13)9-10-3-4-11-7-14-8-12(11)6-10/h3-4,6,14H,1-2,5,7-9H2
InChIKeyBHWCIMMHMUOBQY-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.41
Rot. Bonds2

About 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one

1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one (PubChem CID 105358356) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one
PubChem CID105358356
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc2c(c1)CNC2
InChIInChI=1S/C13H16N2O/c16-13-2-1-5-15(13)9-10-3-4-11-7-14-8-12(11)6-10/h3-4,6,14H,1-2,5,7-9H2
InChIKeyBHWCIMMHMUOBQY-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-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-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
1-[(3-ethylphenyl)methyl]piperidin-2-one
CID 70929088
1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
CID 146669613
8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane
CID 103998282
1-[(4-bromophenyl)methyl]azepan-2-one
CID 55137398
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052528
2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoic acid
CID 106698788
N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 119285120
1-[(3,4-difluorophenyl)methyl]-1,4-diazepan-2-one
CID 82930342
1-[(2-chloro-4-pyridinyl)methyl]azocan-2-one
CID 62471320

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one (CID 105358356) is 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one is O=C1CCCN1Cc1ccc2c(c1)CNC2.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one?
The InChIKey is BHWCIMMHMUOBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13-2-1-5-15(13)9-10-3-4-11-7-14-8-12(11)6-10/h3-4,6,14H,1-2,5,7-9H2.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one?
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 105358356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).