(4S,5R)-4-methyl-5-(7-methyl-6-oxooctyl)imidazolidin-2-one

C13H24N2O2 — CID 138485145

IUPAC(4S,5R)-4-methyl-5-(7-methyl-6-oxooctyl)imidazolidin-2-one
SMILESCC(C)C(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
InChIInChI=1S/C13H24N2O2/c1-9(2)12(16)8-6-4-5-7-11-10(3)14-13(17)15-11/h9-11H,4-8H2,1-3H3,(H2,14,15,17)/t10-,11+/m0/s1
InChIKeyMBAKPHFTGIVDLJ-WDEREUQCSA-N
MW240.35 g/mol
LogP2.23
Rot. Bonds7

About (4S,5R)-4-methyl-5-(7-methyl-6-oxooctyl)imidazolidin-2-one

(4S,5R)-4-methyl-5-(7-methyl-6-oxooctyl)imidazolidin-2-one (PubChem CID 138485145) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-(7-methyl-6-oxooctyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-(7-methyl-6-oxooctyl)imidazolidin-2-one
PubChem CID138485145
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(4S,5R)-4-methyl-5-(7-methyl-6-oxooctyl)imidazolidin-2-one
SMILESCC(C)C(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
InChIInChI=1S/C13H24N2O2/c1-9(2)12(16)8-6-4-5-7-11-10(3)14-13(17)15-11/h9-11H,4-8H2,1-3H3,(H2,14,15,17)/t10-,11+/m0/s1
InChIKeyMBAKPHFTGIVDLJ-WDEREUQCSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.23
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-(7-methyl-6-oxooctyl)imidazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-(7-methyl-6-oxooctyl)imidazolidin-2-one (CID 138485145) is (4S,5R)-4-methyl-5-(7-methyl-6-oxooctyl)imidazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-(7-methyl-6-oxooctyl)imidazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-(7-methyl-6-oxooctyl)imidazolidin-2-one is CC(C)C(=O)CCCCC[C@H]1NC(=O)N[C@H]1C.
What is the InChIKey of (4S,5R)-4-methyl-5-(7-methyl-6-oxooctyl)imidazolidin-2-one?
The InChIKey is MBAKPHFTGIVDLJ-WDEREUQCSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)12(16)8-6-4-5-7-11-10(3)14-13(17)15-11/h9-11H,4-8H2,1-3H3,(H2,14,15,17)/t10-,11+/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-(7-methyl-6-oxooctyl)imidazolidin-2-one?
(4S,5R)-4-methyl-5-(7-methyl-6-oxooctyl)imidazolidin-2-one has a molecular weight of 240.35 g/mol, XLogP of 2.23, 7 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-(7-methyl-6-oxooctyl)imidazolidin-2-one is sourced from PubChem (CID 138485145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).