5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one

C10H17N3O — CID 136954602

IUPAC5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one
SMILESC/N=C1\NC(=O)C(C)(CC2CCC2)N1
InChIInChI=1S/C10H17N3O/c1-10(6-7-4-3-5-7)8(14)12-9(11-2)13-10/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyPAPPXXIENGHGFS-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.64
Rot. Bonds2

About 5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one

5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one (PubChem CID 136954602) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one
PubChem CID136954602
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one
SMILESC/N=C1\NC(=O)C(C)(CC2CCC2)N1
InChIInChI=1S/C10H17N3O/c1-10(6-7-4-3-5-7)8(14)12-9(11-2)13-10/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyPAPPXXIENGHGFS-UHFFFAOYSA-N
XLogP0.64
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,7,9,9-tetramethyl-2-methylimino-1,3-diazaspiro[4.5]decan-4-one
CID 136998359
(5R)-5-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]imidazolidine-2,4-dione
CID 99978564
(5S)-5-methyl-5-[[(2S)-pyrrolidin-2-yl]methyl]imidazolidine-2,4-dione
CID 99978559
2-cyclopropylimino-5-[(4-fluorophenyl)methyl]-5-methylimidazolidin-4-one
CID 136995207
5-(cyclobutylmethyl)-5-methyloxolan-2-one
CID 103439680
3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359808
2-cyclopropylimino-7-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-4-one
CID 136734054
2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one
CID 114671506
4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 65462286
1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64960278
2-methylimino-5-nitroso-1,3-diazinane-4,6-dione
CID 136799162
1-(cyclobutylmethyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64960376

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one?
The IUPAC name of 5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one (CID 136954602) is 5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one.
What is the SMILES notation for 5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one?
The canonical SMILES for 5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one is C/N=C1\NC(=O)C(C)(CC2CCC2)N1.
What is the InChIKey of 5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one?
The InChIKey is PAPPXXIENGHGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(6-7-4-3-5-7)8(14)12-9(11-2)13-10/h7H,3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one?
5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one has a molecular weight of 195.27 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-5-methyl-2-methyliminoimidazolidin-4-one is sourced from PubChem (CID 136954602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).