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

C12H22N2O2 — CID 122174234

IUPAC(4S,5R)-4-methyl-5-(6-oxooctyl)imidazolidin-2-one
SMILESCCC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
InChIInChI=1S/C12H22N2O2/c1-3-10(15)7-5-4-6-8-11-9(2)13-12(16)14-11/h9,11H,3-8H2,1-2H3,(H2,13,14,16)/t9-,11+/m0/s1
InChIKeyQQTCBGCKKNRCPL-GXSJLCMTSA-N
MW226.32 g/mol
LogP1.99
Rot. Bonds7

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

(4S,5R)-4-methyl-5-(6-oxooctyl)imidazolidin-2-one (PubChem CID 122174234) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-(6-oxooctyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-(6-oxooctyl)imidazolidin-2-one
PubChem CID122174234
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(4S,5R)-4-methyl-5-(6-oxooctyl)imidazolidin-2-one
SMILESCCC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
InChIInChI=1S/C12H22N2O2/c1-3-10(15)7-5-4-6-8-11-9(2)13-12(16)14-11/h9,11H,3-8H2,1-2H3,(H2,13,14,16)/t9-,11+/m0/s1
InChIKeyQQTCBGCKKNRCPL-GXSJLCMTSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.99
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-oxooctyl)imidazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-(6-oxooctyl)imidazolidin-2-one (CID 122174234) is (4S,5R)-4-methyl-5-(6-oxooctyl)imidazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-(6-oxooctyl)imidazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-(6-oxooctyl)imidazolidin-2-one is CCC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C.
What is the InChIKey of (4S,5R)-4-methyl-5-(6-oxooctyl)imidazolidin-2-one?
The InChIKey is QQTCBGCKKNRCPL-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-10(15)7-5-4-6-8-11-9(2)13-12(16)14-11/h9,11H,3-8H2,1-2H3,(H2,13,14,16)/t9-,11+/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-(6-oxooctyl)imidazolidin-2-one?
(4S,5R)-4-methyl-5-(6-oxooctyl)imidazolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.99, 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-(6-oxooctyl)imidazolidin-2-one is sourced from PubChem (CID 122174234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).