1-(9-bromononyl)-3-methylimidazol-2-one

C13H23BrN2O — CID 105343172

IUPAC1-(9-bromononyl)-3-methylimidazol-2-one
SMILESCn1ccn(CCCCCCCCCBr)c1=O
InChIInChI=1S/C13H23BrN2O/c1-15-11-12-16(13(15)17)10-8-6-4-2-3-5-7-9-14/h11-12H,2-10H2,1H3
InChIKeyKUJCJRNQNYDMGJ-UHFFFAOYSA-N
MW303.24 g/mol
LogP3.31
Rot. Bonds9

About 1-(9-bromononyl)-3-methylimidazol-2-one

1-(9-bromononyl)-3-methylimidazol-2-one (PubChem CID 105343172) has the molecular formula C13H23BrN2O and a molecular weight of 303.24 g/mol. Its IUPAC name is 1-(9-bromononyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(9-bromononyl)-3-methylimidazol-2-one
PubChem CID105343172
Molecular FormulaC13H23BrN2O
Molecular Weight303.24 g/mol
Exact Mass302.10
IUPAC Name1-(9-bromononyl)-3-methylimidazol-2-one
SMILESCn1ccn(CCCCCCCCCBr)c1=O
InChIInChI=1S/C13H23BrN2O/c1-15-11-12-16(13(15)17)10-8-6-4-2-3-5-7-9-14/h11-12H,2-10H2,1H3
InChIKeyKUJCJRNQNYDMGJ-UHFFFAOYSA-N
XLogP3.31
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(9-bromononyl)-4-methylpyrazine-2,3-dione
CID 105343121
1-(3-bromopropyl)-3-propylimidazol-2-one
CID 80580767
1-(4-methoxybutyl)-3-methylimidazol-2-one
CID 115773746
1-(5-aminohexyl)-3-methylimidazol-2-one
CID 80580709
3-(3-methyl-2-oxoimidazol-1-yl)propanal
CID 80581435
1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one
CID 115943814
1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one
CID 116624618
N,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
CID 116624532
1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one
CID 107705197
1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one
CID 115773769
1-(4-bromobutyl)-3-methylpyridin-2-one
CID 63172457
1-(9-bromononyl)pyrimidin-2-one
CID 105343065

Frequently Asked Questions

What is the IUPAC name of 1-(9-bromononyl)-3-methylimidazol-2-one?
The IUPAC name of 1-(9-bromononyl)-3-methylimidazol-2-one (CID 105343172) is 1-(9-bromononyl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(9-bromononyl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(9-bromononyl)-3-methylimidazol-2-one is Cn1ccn(CCCCCCCCCBr)c1=O.
What is the InChIKey of 1-(9-bromononyl)-3-methylimidazol-2-one?
The InChIKey is KUJCJRNQNYDMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2O/c1-15-11-12-16(13(15)17)10-8-6-4-2-3-5-7-9-14/h11-12H,2-10H2,1H3.
What are the key properties of 1-(9-bromononyl)-3-methylimidazol-2-one?
1-(9-bromononyl)-3-methylimidazol-2-one has a molecular weight of 303.24 g/mol, XLogP of 3.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-bromononyl)-3-methylimidazol-2-one is sourced from PubChem (CID 105343172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).