3,4-dihydro-1H-quinolin-2-one;ethane

C11H15NO — CID 90913605

IUPAC3,4-dihydro-1H-quinolin-2-one;ethane
SMILESCC.O=C1CCc2ccccc2N1
InChIInChI=1S/C9H9NO.C2H6/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2/h1-4H,5-6H2,(H,10,11);1-2H3
InChIKeyFPDRZDXPRUSYDX-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.60
Rot. Bonds

About 3,4-dihydro-1H-quinolin-2-one;ethane

3,4-dihydro-1H-quinolin-2-one;ethane (PubChem CID 90913605) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3,4-dihydro-1H-quinolin-2-one;ethane.

Molecular Properties

Compound Name3,4-dihydro-1H-quinolin-2-one;ethane
PubChem CID90913605
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3,4-dihydro-1H-quinolin-2-one;ethane
SMILESCC.O=C1CCc2ccccc2N1
InChIInChI=1S/C9H9NO.C2H6/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2/h1-4H,5-6H2,(H,10,11);1-2H3
InChIKeyFPDRZDXPRUSYDX-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 91147283
3,4-dihydro-1H-quinolin-2-one;methanesulfonic acid
CID 21248382
methane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 143703020
1,3-dihydroindol-2-one;ethane
CID 54350510
ethane;5,10,11,12-tetrahydrobenzo[b][1]benzazocine
CID 142101611
6-(1,2,3,4-tetrahydroquinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164550089
5-methyl-1,3,4,6-tetrahydro-1,5-benzodiazocin-2-one
CID 89129772
benzyl propanoate;3,4-dihydro-1H-quinolin-2-one
CID 70445748
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
2,3-dihydro-1H-benzo[g]indole;3,4-dihydro-1H-quinolin-2-one
CID 175227855
1,3,4,5-tetrahydro-1-benzazepin-2-one;2,2,2-trifluoroacetic acid
CID 66714584
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-quinolin-2-one;ethane?
The IUPAC name of 3,4-dihydro-1H-quinolin-2-one;ethane (CID 90913605) is 3,4-dihydro-1H-quinolin-2-one;ethane.
What is the SMILES notation for 3,4-dihydro-1H-quinolin-2-one;ethane?
The canonical SMILES for 3,4-dihydro-1H-quinolin-2-one;ethane is CC.O=C1CCc2ccccc2N1.
What is the InChIKey of 3,4-dihydro-1H-quinolin-2-one;ethane?
The InChIKey is FPDRZDXPRUSYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C2H6/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2/h1-4H,5-6H2,(H,10,11);1-2H3.
What are the key properties of 3,4-dihydro-1H-quinolin-2-one;ethane?
3,4-dihydro-1H-quinolin-2-one;ethane has a molecular weight of 177.25 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-quinolin-2-one;ethane is sourced from PubChem (CID 90913605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).