1,3-diethyl-4-imino-5-methylimidazolidin-2-one

C8H15N3O — CID 156893632

IUPAC1,3-diethyl-4-imino-5-methylimidazolidin-2-one
SMILES[H]/N=C1\C(C)N(CC)C(=O)N1CC
InChIInChI=1S/C8H15N3O/c1-4-10-6(3)7(9)11(5-2)8(10)12/h6,9H,4-5H2,1-3H3/b9-7+
InChIKeyLFPJFPMYHDKNJG-VQHVLOKHSA-N
MW169.23 g/mol
LogP1.13
Rot. Bonds2

About 1,3-diethyl-4-imino-5-methylimidazolidin-2-one

1,3-diethyl-4-imino-5-methylimidazolidin-2-one (PubChem CID 156893632) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1,3-diethyl-4-imino-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name1,3-diethyl-4-imino-5-methylimidazolidin-2-one
PubChem CID156893632
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1,3-diethyl-4-imino-5-methylimidazolidin-2-one
SMILES[H]/N=C1\C(C)N(CC)C(=O)N1CC
InChIInChI=1S/C8H15N3O/c1-4-10-6(3)7(9)11(5-2)8(10)12/h6,9H,4-5H2,1-3H3/b9-7+
InChIKeyLFPJFPMYHDKNJG-VQHVLOKHSA-N
XLogP1.13
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Imidazolidinone, 1-ethyl-5-imino-3,4,4-trimethyl-
CID 71755725
4-Ethyl-5-imino-1-methylimidazolidin-2-one
CID 148999775
Ethane;1-ethyl-4-imino-3,5-dimethylimidazolidin-2-one
CID 156893057
1-Ethyl-4-imino-3,5-dimethylimidazolidin-2-one
CID 156893058
Ethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one
CID 156894013
4-Imino-5-methyl-1,3-dipropylimidazolidin-2-one
CID 156894014
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

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4-imino-5-methylimidazolidin-2-one?
The IUPAC name of 1,3-diethyl-4-imino-5-methylimidazolidin-2-one (CID 156893632) is 1,3-diethyl-4-imino-5-methylimidazolidin-2-one.
What is the SMILES notation for 1,3-diethyl-4-imino-5-methylimidazolidin-2-one?
The canonical SMILES for 1,3-diethyl-4-imino-5-methylimidazolidin-2-one is [H]/N=C1\C(C)N(CC)C(=O)N1CC.
What is the InChIKey of 1,3-diethyl-4-imino-5-methylimidazolidin-2-one?
The InChIKey is LFPJFPMYHDKNJG-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-10-6(3)7(9)11(5-2)8(10)12/h6,9H,4-5H2,1-3H3/b9-7+.
What are the key properties of 1,3-diethyl-4-imino-5-methylimidazolidin-2-one?
1,3-diethyl-4-imino-5-methylimidazolidin-2-one has a molecular weight of 169.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4-imino-5-methylimidazolidin-2-one is sourced from PubChem (CID 156893632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).