3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one

C16H22N2O — CID 109013312

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCc2ccccc21)N1CCCC1
InChIInChI=1S/C16H22N2O/c19-16(18-10-3-4-11-18)9-13-17-12-5-7-14-6-1-2-8-15(14)17/h1-2,6,8H,3-5,7,9-13H2
InChIKeyKWEPNMOOHUNVKC-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.45
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one

3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 109013312) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID109013312
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCc2ccccc21)N1CCCC1
InChIInChI=1S/C16H22N2O/c19-16(18-10-3-4-11-18)9-13-17-12-5-7-14-6-1-2-8-15(14)17/h1-2,6,8H,3-5,7,9-13H2
InChIKeyKWEPNMOOHUNVKC-UHFFFAOYSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 109013312) is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCN1CCCc2ccccc21)N1CCCC1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KWEPNMOOHUNVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(18-10-3-4-11-18)9-13-17-12-5-7-14-6-1-2-8-15(14)17/h1-2,6,8H,3-5,7,9-13H2.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 258.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 109013312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).