1-ethyl-3,4-dihydroquinolin-2-one

C11H13NO — CID 14580225

IUPAC1-ethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2ccccc21
InChIInChI=1S/C11H13NO/c1-2-12-10-6-4-3-5-9(10)7-8-11(12)13/h3-6H,2,7-8H2,1H3
InChIKeyCPGQHDPBWJIHNJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.99
Rot. Bonds1

About 1-ethyl-3,4-dihydroquinolin-2-one

1-ethyl-3,4-dihydroquinolin-2-one (PubChem CID 14580225) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-ethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-3,4-dihydroquinolin-2-one
PubChem CID14580225
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-ethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2ccccc21
InChIInChI=1S/C11H13NO/c1-2-12-10-6-4-3-5-9(10)7-8-11(12)13/h3-6H,2,7-8H2,1H3
InChIKeyCPGQHDPBWJIHNJ-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-ethyl-3,4-dihydroquinolin-2-one (CID 14580225) is 1-ethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-ethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-ethyl-3,4-dihydroquinolin-2-one is CCN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-ethyl-3,4-dihydroquinolin-2-one?
The InChIKey is CPGQHDPBWJIHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-12-10-6-4-3-5-9(10)7-8-11(12)13/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-ethyl-3,4-dihydroquinolin-2-one?
1-ethyl-3,4-dihydroquinolin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 14580225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).