8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one

C9H10ClNO — CID 23338159

IUPAC8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)C(Cl)CCC2
InChIInChI=1S/C9H10ClNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h4-5,7H,1-3H2,(H,11,12)
InChIKeyVYFFDLGQYICPMX-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.99
Rot. Bonds

About 8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one

8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 23338159) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID23338159
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)C(Cl)CCC2
InChIInChI=1S/C9H10ClNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h4-5,7H,1-3H2,(H,11,12)
InChIKeyVYFFDLGQYICPMX-UHFFFAOYSA-N
XLogP1.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 23338159) is 8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)C(Cl)CCC2.
What is the InChIKey of 8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is VYFFDLGQYICPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h4-5,7H,1-3H2,(H,11,12).
What are the key properties of 8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one?
8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 183.64 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 23338159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).