(3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one

C15H26N2O — CID 122382821

IUPAC(3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one
SMILESCCCCCCC[C@@H](C)CC(=O)c1nccn1C
InChIInChI=1S/C15H26N2O/c1-4-5-6-7-8-9-13(2)12-14(18)15-16-10-11-17(15)3/h10-11,13H,4-9,12H2,1-3H3/t13-/m1/s1
InChIKeyLJEQUSZTBLEOGV-CYBMUJFWSA-N
MW250.39 g/mol
LogP3.99
Rot. Bonds9

About (3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one

(3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one (PubChem CID 122382821) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one.

Molecular Properties

Compound Name(3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one
PubChem CID122382821
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one
SMILESCCCCCCC[C@@H](C)CC(=O)c1nccn1C
InChIInChI=1S/C15H26N2O/c1-4-5-6-7-8-9-13(2)12-14(18)15-16-10-11-17(15)3/h10-11,13H,4-9,12H2,1-3H3/t13-/m1/s1
InChIKeyLJEQUSZTBLEOGV-CYBMUJFWSA-N
XLogP3.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one?
The IUPAC name of (3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one (CID 122382821) is (3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one.
What is the SMILES notation for (3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one?
The canonical SMILES for (3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one is CCCCCCC[C@@H](C)CC(=O)c1nccn1C.
What is the InChIKey of (3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one?
The InChIKey is LJEQUSZTBLEOGV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-5-6-7-8-9-13(2)12-14(18)15-16-10-11-17(15)3/h10-11,13H,4-9,12H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one?
(3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one has a molecular weight of 250.39 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one is sourced from PubChem (CID 122382821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).