4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one

C15H18BrNO2 — CID 168503520

IUPAC4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccc2c(c1)C(O)CCC2
InChIInChI=1S/C15H18BrNO2/c16-8-10-6-15(19)17(9-10)12-5-4-11-2-1-3-14(18)13(11)7-12/h4-5,7,10,14,18H,1-3,6,8-9H2
InChIKeyNQAPMCMDLXIOLR-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.80
Rot. Bonds2

About 4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one

4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one (PubChem CID 168503520) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
PubChem CID168503520
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccc2c(c1)C(O)CCC2
InChIInChI=1S/C15H18BrNO2/c16-8-10-6-15(19)17(9-10)12-5-4-11-2-1-3-14(18)13(11)7-12/h4-5,7,10,14,18H,1-3,6,8-9H2
InChIKeyNQAPMCMDLXIOLR-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-[[1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666185
4-(bromomethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one
CID 168505492
4-(bromomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 168505993
4-(bromomethyl)-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168504407
1-(2H-benzotriazol-5-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505547
4-(bromomethyl)-1-[3-(2-hydroxyethyl)phenyl]pyrrolidin-2-one
CID 168506138
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
4-(bromomethyl)-1-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 168505640
4-(bromomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 168504686
4-(bromomethyl)-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
CID 168503684
4-(bromomethyl)-1-(4-hydroxy-3-nitrophenyl)pyrrolidin-2-one
CID 168505534
4-(bromomethyl)-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 168504300

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one (CID 168503520) is 4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one is O=C1CC(CBr)CN1c1ccc2c(c1)C(O)CCC2.
What is the InChIKey of 4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
The InChIKey is NQAPMCMDLXIOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c16-8-10-6-15(19)17(9-10)12-5-4-11-2-1-3-14(18)13(11)7-12/h4-5,7,10,14,18H,1-3,6,8-9H2.
What are the key properties of 4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one has a molecular weight of 324.22 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168503520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).