(5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one

C9H17N3O — CID 163465369

IUPAC(5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one
SMILESC/N=C1\NC(=O)[C@](C)(CC(C)C)N1
InChIInChI=1S/C9H17N3O/c1-6(2)5-9(3)7(13)11-8(10-4)12-9/h6H,5H2,1-4H3,(H2,10,11,12,13)/t9-/m0/s1
InChIKeyBSDKSQUAJINCJM-VIFPVBQESA-N
MW183.25 g/mol
LogP0.50
Rot. Bonds2

About (5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one

(5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 163465369) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID163465369
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one
SMILESC/N=C1\NC(=O)[C@](C)(CC(C)C)N1
InChIInChI=1S/C9H17N3O/c1-6(2)5-9(3)7(13)11-8(10-4)12-9/h6H,5H2,1-4H3,(H2,10,11,12,13)/t9-/m0/s1
InChIKeyBSDKSQUAJINCJM-VIFPVBQESA-N
XLogP0.50
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of (5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one (CID 163465369) is (5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for (5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for (5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one is C/N=C1\NC(=O)[C@](C)(CC(C)C)N1.
What is the InChIKey of (5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is BSDKSQUAJINCJM-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(2)5-9(3)7(13)11-8(10-4)12-9/h6H,5H2,1-4H3,(H2,10,11,12,13)/t9-/m0/s1.
What are the key properties of (5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one?
(5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 183.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 163465369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).