7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one

C11H15NO — CID 70310651

IUPAC7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
SMILESCCC1=CC2NC(=O)CCC2C=C1
InChIInChI=1S/C11H15NO/c1-2-8-3-4-9-5-6-11(13)12-10(9)7-8/h3-4,7,9-10H,2,5-6H2,1H3,(H,12,13)
InChIKeyXENROPJCPPPYBN-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.79
Rot. Bonds1

About 7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one

7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one (PubChem CID 70310651) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
PubChem CID70310651
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
SMILESCCC1=CC2NC(=O)CCC2C=C1
InChIInChI=1S/C11H15NO/c1-2-8-3-4-9-5-6-11(13)12-10(9)7-8/h3-4,7,9-10H,2,5-6H2,1H3,(H,12,13)
InChIKeyXENROPJCPPPYBN-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

2-Azabicyclo(2.2.2)oct-5-en-3-one
CID 55285700
6-Pentadeca-1,3,6,9-tetraenyl-piperidin-2-one
CID 44272003
3,4,4a,8a-tetrahydro-2H-isoquinolin-1-one
CID 19976059
3,4,4a,8a-tetrahydro-1H-quinolin-2-one
CID 20223084
2,4,4a,8a-tetrahydro-1H-isoquinolin-3-one
CID 53756417
Tetrahydroisoquinolinone
CID 66591041
Tetrahydro-3(2h)-isoquinolinone
CID 66922432
Hexahydroisoquinolin-3(2h)-one
CID 90806750
N-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide
CID 163652939
6-bromo-8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
CID 66911302
7-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
CID 66911309
6-bromo-7-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
CID 66911312

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one (CID 70310651) is 7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one is CCC1=CC2NC(=O)CCC2C=C1.
What is the InChIKey of 7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
The InChIKey is XENROPJCPPPYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-8-3-4-9-5-6-11(13)12-10(9)7-8/h3-4,7,9-10H,2,5-6H2,1H3,(H,12,13).
What are the key properties of 7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one has a molecular weight of 177.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 70310651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).