3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one

C13H16BrNO — CID 82522451

IUPAC3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1c(CBr)cc2c(n1C1CC1)CCCC2
InChIInChI=1S/C13H16BrNO/c14-8-10-7-9-3-1-2-4-12(9)15(13(10)16)11-5-6-11/h7,11H,1-6,8H2
InChIKeyKUQMGBZUFXQMPK-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.96
Rot. Bonds2

About 3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one

3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 82522451) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID82522451
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1c(CBr)cc2c(n1C1CC1)CCCC2
InChIInChI=1S/C13H16BrNO/c14-8-10-7-9-3-1-2-4-12(9)15(13(10)16)11-5-6-11/h7,11H,1-6,8H2
InChIKeyKUQMGBZUFXQMPK-UHFFFAOYSA-N
XLogP2.96
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522879
3-(aminomethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82189071
2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile
CID 82522250
1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522868
1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82522466
3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride
CID 82522847
3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523085
1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 82523116
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
CID 82522239
3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522850
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride
CID 82522241
1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521975

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one (CID 82522451) is 3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one is O=c1c(CBr)cc2c(n1C1CC1)CCCC2.
What is the InChIKey of 3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is KUQMGBZUFXQMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-8-10-7-9-3-1-2-4-12(9)15(13(10)16)11-5-6-11/h7,11H,1-6,8H2.
What are the key properties of 3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one?
3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 282.18 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 82522451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).