5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one

C7H13N3O — CID 162479080

IUPAC5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1/C(C(C)C)NC(=O)N1C
InChIInChI=1S/C7H13N3O/c1-4(2)5-6(8)10(3)7(11)9-5/h4-5,8H,1-3H3,(H,9,11)/b8-6-
InChIKeyLIVHIVWNVZUDAZ-VURMDHGXSA-N
MW155.20 g/mol
LogP0.64
Rot. Bonds1

About 5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one

5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one (PubChem CID 162479080) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one
PubChem CID162479080
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1/C(C(C)C)NC(=O)N1C
InChIInChI=1S/C7H13N3O/c1-4(2)5-6(8)10(3)7(11)9-5/h4-5,8H,1-3H3,(H,9,11)/b8-6-
InChIKeyLIVHIVWNVZUDAZ-VURMDHGXSA-N
XLogP0.64
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
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

4-amino-5-methyl-2,5-dihydro-1H-imidazol-2-one
CID 137701550
4-Imino-5-propan-2-ylimidazolidin-2-one
CID 138388222
4-Ethyl-5-iminoimidazolidin-2-one
CID 138388729
4-Ethyl-5-imino-1-methylimidazolidin-2-one
CID 148999775
1-Ethyl-4-imino-3,5-dimethylimidazolidin-2-one
CID 156893058
4-Imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one
CID 157339972
1-Ethyl-4-imino-3-methyl-5-propan-2-ylimidazolidin-2-one
CID 159102247
5-Imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-one
CID 159102248
1,3-Diethyl-4-imino-5-propan-2-ylimidazolidin-2-one
CID 159102249
4-Imino-1,3,5-tri(propan-2-yl)imidazolidin-2-one
CID 159102251
4-Imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one
CID 159102252
4-Imino-1,3,5-trimethylimidazolidin-2-one
CID 166799038

Frequently Asked Questions

What is the IUPAC name of 5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one (CID 162479080) is 5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one is [H]/N=C1/C(C(C)C)NC(=O)N1C.
What is the InChIKey of 5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one?
The InChIKey is LIVHIVWNVZUDAZ-VURMDHGXSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4(2)5-6(8)10(3)7(11)9-5/h4-5,8H,1-3H3,(H,9,11)/b8-6-.
What are the key properties of 5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one?
5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1-methyl-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 162479080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).