2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one

C16H22N2O — CID 115773441

IUPAC2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1CCCN1CCCC1
InChIInChI=1S/C16H22N2O/c19-16-15-7-2-1-6-14(15)8-13-18(16)12-5-11-17-9-3-4-10-17/h1-2,6-7H,3-5,8-13H2
InChIKeyAPYOBGRHGPTVPL-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.17
Rot. Bonds4

About 2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one

2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 115773441) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one
PubChem CID115773441
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1CCCN1CCCC1
InChIInChI=1S/C16H22N2O/c19-16-15-7-2-1-6-14(15)8-13-18(16)12-5-11-17-9-3-4-10-17/h1-2,6-7H,3-5,8-13H2
InChIKeyAPYOBGRHGPTVPL-UHFFFAOYSA-N
XLogP2.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 115773461
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 115873461
2-nonyl-3,4-dihydroisoquinolin-1-one
CID 104501189
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
2-(4,4-dimethylpentyl)-3,4-dihydroisoquinolin-1-one
CID 114210266
2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one
CID 54578263
2-(3-bromopropyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525155
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-3,4-dihydroisoquinolin-1-one
CID 44582187
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
4-(1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)butanenitrile
CID 113422827
2-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethoxy]acetic acid
CID 83084684
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one (CID 115773441) is 2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one is O=C1c2ccccc2CCN1CCCN1CCCC1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is APYOBGRHGPTVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16-15-7-2-1-6-14(15)8-13-18(16)12-5-11-17-9-3-4-10-17/h1-2,6-7H,3-5,8-13H2.
What are the key properties of 2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one?
2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 258.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 115773441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).