6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one

C11H11NO2 — CID 95436529

IUPAC6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([C@@H]3CO3)ccc2N1
InChIInChI=1S/C11H11NO2/c13-11-4-2-7-5-8(10-6-14-10)1-3-9(7)12-11/h1,3,5,10H,2,4,6H2,(H,12,13)/t10-/m0/s1
InChIKeyKDWKPOXQEWDDRS-JTQLQIEISA-N
MW189.21 g/mol
LogP1.64
Rot. Bonds1

About 6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one

6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95436529) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID95436529
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([C@@H]3CO3)ccc2N1
InChIInChI=1S/C11H11NO2/c13-11-4-2-7-5-8(10-6-14-10)1-3-9(7)12-11/h1,3,5,10H,2,4,6H2,(H,12,13)/t10-/m0/s1
InChIKeyKDWKPOXQEWDDRS-JTQLQIEISA-N
XLogP1.64
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6-(1,3-oxazolidin-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82472049
6-morpholin-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 82289623
6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82468625
(2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride
CID 155926233
6-(1,2,3,4-tetrahydroquinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164550089
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-(5-methylpiperidin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164753190
6-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82294809
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
(2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid
CID 59763201
6-(1-methyl-3,4-dihydro-2H-quinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 170310883
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one (CID 95436529) is 6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc([C@@H]3CO3)ccc2N1.
What is the InChIKey of 6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KDWKPOXQEWDDRS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11NO2/c13-11-4-2-7-5-8(10-6-14-10)1-3-9(7)12-11/h1,3,5,10H,2,4,6H2,(H,12,13)/t10-/m0/s1.
What are the key properties of 6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 189.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95436529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).