(4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one

C11H20N2O2 — CID 129264347

IUPAC(4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
SMILESCC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
InChIInChI=1S/C11H20N2O2/c1-8(14)6-4-3-5-7-10-9(2)12-11(15)13-10/h9-10H,3-7H2,1-2H3,(H2,12,13,15)/t9-,10+/m0/s1
InChIKeySXSMWFGIKGFBOG-VHSXEESVSA-N
MW212.29 g/mol
LogP1.60
Rot. Bonds6

About (4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one

(4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one (PubChem CID 129264347) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
PubChem CID129264347
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
SMILESCC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
InChIInChI=1S/C11H20N2O2/c1-8(14)6-4-3-5-7-10-9(2)12-11(15)13-10/h9-10H,3-7H2,1-2H3,(H2,12,13,15)/t9-,10+/m0/s1
InChIKeySXSMWFGIKGFBOG-VHSXEESVSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one (CID 129264347) is (4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one is CC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C.
What is the InChIKey of (4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one?
The InChIKey is SXSMWFGIKGFBOG-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(14)6-4-3-5-7-10-9(2)12-11(15)13-10/h9-10H,3-7H2,1-2H3,(H2,12,13,15)/t9-,10+/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one?
(4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-5-(6-oxoheptyl)imidazolidin-2-one is sourced from PubChem (CID 129264347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).