1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one

C16H22N2O — CID 115105112

IUPAC1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one
SMILESO=C(CCC1CNCc2ccccc21)N1CCCC1
InChIInChI=1S/C16H22N2O/c19-16(18-9-3-4-10-18)8-7-14-12-17-11-13-5-1-2-6-15(13)14/h1-2,5-6,14,17H,3-4,7-12H2
InChIKeyCWBPWFCCTRTASE-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.28
Rot. Bonds3

About 1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one

1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one (PubChem CID 115105112) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one
PubChem CID115105112
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one
SMILESO=C(CCC1CNCc2ccccc21)N1CCCC1
InChIInChI=1S/C16H22N2O/c19-16(18-9-3-4-10-18)8-7-14-12-17-11-13-5-1-2-6-15(13)14/h1-2,5-6,14,17H,3-4,7-12H2
InChIKeyCWBPWFCCTRTASE-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one (CID 115105112) is 1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one is O=C(CCC1CNCc2ccccc21)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one?
The InChIKey is CWBPWFCCTRTASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(18-9-3-4-10-18)8-7-14-12-17-11-13-5-1-2-6-15(13)14/h1-2,5-6,14,17H,3-4,7-12H2.
What are the key properties of 1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one?
1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one has a molecular weight of 258.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one is sourced from PubChem (CID 115105112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).