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

C13H17ClN2O — CID 119320268

IUPAC1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCCN1)N1Cc2ccccc2C1
InChIInChI=1S/C13H16N2O.ClH/c16-13(12-6-3-7-14-12)15-8-10-4-1-2-5-11(10)9-15;/h1-2,4-5,12,14H,3,6-9H2;1H
InChIKeyIUVAGQBNZYRODE-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.70
Rot. Bonds1

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

1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride (PubChem CID 119320268) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
PubChem CID119320268
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCCN1)N1Cc2ccccc2C1
InChIInChI=1S/C13H16N2O.ClH/c16-13(12-6-3-7-14-12)15-8-10-4-1-2-5-11(10)9-15;/h1-2,4-5,12,14H,3,6-9H2;1H
InChIKeyIUVAGQBNZYRODE-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-pyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 104901202
7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone
CID 60862419
2-[(2R)-pyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104901455
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119294607
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111
[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 60715693
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119777889
(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 96999767
(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
CID 119327935
(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 154900279
1,3-dihydroisoindol-2-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631484

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride?
The IUPAC name of 1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride (CID 119320268) is 1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride?
The canonical SMILES for 1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride is Cl.O=C(C1CCCN1)N1Cc2ccccc2C1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride?
The InChIKey is IUVAGQBNZYRODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c16-13(12-6-3-7-14-12)15-8-10-4-1-2-5-11(10)9-15;/h1-2,4-5,12,14H,3,6-9H2;1H.
What are the key properties of 1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride?
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 1.70, 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-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119320268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).