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

C15H20N2O2 — CID 67870567

IUPAC1-(3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one
SMILESCC1(C)Nc2ccccc2C(N2CCCC2=O)C1O
InChIInChI=1S/C15H20N2O2/c1-15(2)14(19)13(17-9-5-8-12(17)18)10-6-3-4-7-11(10)16-15/h3-4,6-7,13-14,16,19H,5,8-9H2,1-2H3
InChIKeyAAGPGWHZLSBMRN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.92
Rot. Bonds1

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

1-(3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one (PubChem CID 67870567) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one
PubChem CID67870567
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one
SMILESCC1(C)Nc2ccccc2C(N2CCCC2=O)C1O
InChIInChI=1S/C15H20N2O2/c1-15(2)14(19)13(17-9-5-8-12(17)18)10-6-3-4-7-11(10)16-15/h3-4,6-7,13-14,16,19H,5,8-9H2,1-2H3
InChIKeyAAGPGWHZLSBMRN-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one (CID 67870567) is 1-(3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one is CC1(C)Nc2ccccc2C(N2CCCC2=O)C1O.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one?
The InChIKey is AAGPGWHZLSBMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)14(19)13(17-9-5-8-12(17)18)10-6-3-4-7-11(10)16-15/h3-4,6-7,13-14,16,19H,5,8-9H2,1-2H3.
What are the key properties of 1-(3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one?
1-(3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 67870567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).