5-imino-4,4-dimethylimidazolidin-2-one

C5H9N3O — CID 138058722

IUPAC5-imino-4,4-dimethylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1(C)C
InChIInChI=1S/C5H9N3O/c1-5(2)3(6)7-4(9)8-5/h1-2H3,(H3,6,7,8,9)
InChIKeyIZDSJCOLCBXROQ-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.06
Rot. Bonds

About 5-imino-4,4-dimethylimidazolidin-2-one

5-imino-4,4-dimethylimidazolidin-2-one (PubChem CID 138058722) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-imino-4,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name5-imino-4,4-dimethylimidazolidin-2-one
PubChem CID138058722
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name5-imino-4,4-dimethylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1(C)C
InChIInChI=1S/C5H9N3O/c1-5(2)3(6)7-4(9)8-5/h1-2H3,(H3,6,7,8,9)
InChIKeyIZDSJCOLCBXROQ-UHFFFAOYSA-N
XLogP0.06
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-imino-4,4-bis(trifluoromethyl)imidazolidin-2-one
CID 154425793
4-imino-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]decan-2-one
CID 138388468
5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one
CID 138389208
4-imino-5,5-dimethyl-1-propan-2-ylimidazolidin-2-one
CID 138390712
4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one
CID 138389637
4,5-bis(hydroxymethyl)-6-imino-5-methyl-1,3-diazinan-2-one
CID 176684581
7-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
CID 138389647
1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one
CID 138391112
5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione
CID 138111717
5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one
CID 153466566
2-imino-1,5,5-trimethylimidazolidin-4-one
CID 138391490
(5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione
CID 135564835

Frequently Asked Questions

What is the IUPAC name of 5-imino-4,4-dimethylimidazolidin-2-one?
The IUPAC name of 5-imino-4,4-dimethylimidazolidin-2-one (CID 138058722) is 5-imino-4,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 5-imino-4,4-dimethylimidazolidin-2-one?
The canonical SMILES for 5-imino-4,4-dimethylimidazolidin-2-one is [H]/N=C1\NC(=O)NC1(C)C.
What is the InChIKey of 5-imino-4,4-dimethylimidazolidin-2-one?
The InChIKey is IZDSJCOLCBXROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-5(2)3(6)7-4(9)8-5/h1-2H3,(H3,6,7,8,9).
What are the key properties of 5-imino-4,4-dimethylimidazolidin-2-one?
5-imino-4,4-dimethylimidazolidin-2-one has a molecular weight of 127.15 g/mol, XLogP of 0.06, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 138058722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).