6-ethynyl-2,3-dihydro-1H-quinolin-4-one

C11H9NO — CID 147341621

IUPAC6-ethynyl-2,3-dihydro-1H-quinolin-4-one
SMILESC#Cc1ccc2c(c1)C(=O)CCN2
InChIInChI=1S/C11H9NO/c1-2-8-3-4-10-9(7-8)11(13)5-6-12-10/h1,3-4,7,12H,5-6H2
InChIKeyDDPMYHNAVJELEF-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.67
Rot. Bonds

About 6-ethynyl-2,3-dihydro-1H-quinolin-4-one

6-ethynyl-2,3-dihydro-1H-quinolin-4-one (PubChem CID 147341621) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 6-ethynyl-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethynyl-2,3-dihydro-1H-quinolin-4-one
PubChem CID147341621
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name6-ethynyl-2,3-dihydro-1H-quinolin-4-one
SMILESC#Cc1ccc2c(c1)C(=O)CCN2
InChIInChI=1S/C11H9NO/c1-2-8-3-4-10-9(7-8)11(13)5-6-12-10/h1,3-4,7,12H,5-6H2
InChIKeyDDPMYHNAVJELEF-UHFFFAOYSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 6-ethynyl-2,3-dihydro-1H-quinolin-4-one (CID 147341621) is 6-ethynyl-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 6-ethynyl-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 6-ethynyl-2,3-dihydro-1H-quinolin-4-one is C#Cc1ccc2c(c1)C(=O)CCN2.
What is the InChIKey of 6-ethynyl-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is DDPMYHNAVJELEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-8-3-4-10-9(7-8)11(13)5-6-12-10/h1,3-4,7,12H,5-6H2.
What are the key properties of 6-ethynyl-2,3-dihydro-1H-quinolin-4-one?
6-ethynyl-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 171.20 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 147341621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).