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

C11H15NO — CID 91530065

IUPAC2,3-dihydro-1H-quinolin-4-one;ethane
SMILESCC.O=C1CCNc2ccccc21
InChIInChI=1S/C9H9NO.C2H6/c11-9-5-6-10-8-4-2-1-3-7(8)9;1-2/h1-4,10H,5-6H2;1-2H3
InChIKeyKRZRJUGDRGVXFY-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.71
Rot. Bonds

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

2,3-dihydro-1H-quinolin-4-one;ethane (PubChem CID 91530065) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,3-dihydro-1H-quinolin-4-one;ethane.

Molecular Properties

Compound Name2,3-dihydro-1H-quinolin-4-one;ethane
PubChem CID91530065
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2,3-dihydro-1H-quinolin-4-one;ethane
SMILESCC.O=C1CCNc2ccccc21
InChIInChI=1S/C9H9NO.C2H6/c11-9-5-6-10-8-4-2-1-3-7(8)9;1-2/h1-4,10H,5-6H2;1-2H3
InChIKeyKRZRJUGDRGVXFY-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid
CID 175847816
1,2,3,4,5,6-hexahydro-1-benzazonin-7-one
CID 121011436
N,N-diethylethanamine;ethane;1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 91563720
butane;4-methylidene-2,3-dihydro-1H-quinoline
CID 143333424
6,7-dimethyl-2,3-dihydro-1H-quinolin-4-one
CID 82276023
(E)-N-methoxy-2,3-dihydro-1H-quinolin-4-imine
CID 136619754
4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde
CID 82411274
ethane;4-oxo-2,3-dihydro-1H-quinoline-8-carboxamide
CID 91307130
7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one
CID 130038975
6-ethynyl-2,3-dihydro-1H-quinolin-4-one
CID 147341621
5-amino-2,3-dihydro-1H-quinolin-4-one
CID 130045561
1,2,3,4-tetrahydro-1,3-benzodiazepin-5-one
CID 121437311

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-quinolin-4-one;ethane?
The IUPAC name of 2,3-dihydro-1H-quinolin-4-one;ethane (CID 91530065) is 2,3-dihydro-1H-quinolin-4-one;ethane.
What is the SMILES notation for 2,3-dihydro-1H-quinolin-4-one;ethane?
The canonical SMILES for 2,3-dihydro-1H-quinolin-4-one;ethane is CC.O=C1CCNc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-quinolin-4-one;ethane?
The InChIKey is KRZRJUGDRGVXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C2H6/c11-9-5-6-10-8-4-2-1-3-7(8)9;1-2/h1-4,10H,5-6H2;1-2H3.
What are the key properties of 2,3-dihydro-1H-quinolin-4-one;ethane?
2,3-dihydro-1H-quinolin-4-one;ethane has a molecular weight of 177.25 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-quinolin-4-one;ethane is sourced from PubChem (CID 91530065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).