8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one

C12H12ClNO2 — CID 57115682

IUPAC8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(Cl)C(=O)c1cccc2c1NC(=O)CC2
InChIInChI=1S/C12H12ClNO2/c1-7(13)12(16)9-4-2-3-8-5-6-10(15)14-11(8)9/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyDDRKILROUSEVPB-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.38
Rot. Bonds2

About 8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one

8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 57115682) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID57115682
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(Cl)C(=O)c1cccc2c1NC(=O)CC2
InChIInChI=1S/C12H12ClNO2/c1-7(13)12(16)9-4-2-3-8-5-6-10(15)14-11(8)9/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyDDRKILROUSEVPB-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one (CID 57115682) is 8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one is CC(Cl)C(=O)c1cccc2c1NC(=O)CC2.
What is the InChIKey of 8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DDRKILROUSEVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-7(13)12(16)9-4-2-3-8-5-6-10(15)14-11(8)9/h2-4,7H,5-6H2,1H3,(H,14,15).
What are the key properties of 8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one?
8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 237.69 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 57115682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).