1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride

C13H17ClN2O — CID 119777889

IUPAC1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1Cc2ccccc2C1
InChIInChI=1S/C13H16N2O.ClH/c16-13(10-5-6-14-7-10)15-8-11-3-1-2-4-12(11)9-15;/h1-4,10,14H,5-9H2;1H
InChIKeyPZXGJOQOTXAWJF-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.56
Rot. Bonds1

About 1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride

1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride (PubChem CID 119777889) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride
PubChem CID119777889
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1Cc2ccccc2C1
InChIInChI=1S/C13H16N2O.ClH/c16-13(10-5-6-14-7-10)15-8-11-3-1-2-4-12(11)9-15;/h1-4,10,14H,5-9H2;1H
InChIKeyPZXGJOQOTXAWJF-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride 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

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115
1,3-dihydroisoindol-2-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631484
2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride
CID 119689903
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
2-[(3S)-piperidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 81133829
(4-phenyl-1,4-diazepan-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119860825
(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone
CID 59069252
4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride
CID 130677789
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119692939

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride?
The IUPAC name of 1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride (CID 119777889) is 1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride?
The canonical SMILES for 1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride is Cl.O=C(C1CCNC1)N1Cc2ccccc2C1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride?
The InChIKey is PZXGJOQOTXAWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c16-13(10-5-6-14-7-10)15-8-11-3-1-2-4-12(11)9-15;/h1-4,10,14H,5-9H2;1H.
What are the key properties of 1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride?
1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119777889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).