1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one

C9H17N3O — CID 138389354

IUPAC1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1(C)CCC
InChIInChI=1S/C9H17N3O/c1-4-6-9(3)7(10)11-8(13)12(9)5-2/h4-6H2,1-3H3,(H2,10,11,13)
InChIKeyJNQSYULEWNZRPS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.57
Rot. Bonds3

About 1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one

1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one (PubChem CID 138389354) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one
PubChem CID138389354
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1(C)CCC
InChIInChI=1S/C9H17N3O/c1-4-6-9(3)7(10)11-8(13)12(9)5-2/h4-6H2,1-3H3,(H2,10,11,13)
InChIKeyJNQSYULEWNZRPS-UHFFFAOYSA-N
XLogP1.57
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.57
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

1-benzyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138390340
5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one
CID 138390848
5-ethyl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388406
1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one
CID 138391184
1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
CID 138390452
4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one
CID 138389048
1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one
CID 138391112
5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one
CID 138388683
4-imino-8-methyl-1-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388849
4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138389399
5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388328
1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389453

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one?
The IUPAC name of 1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one (CID 138389354) is 1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC)C1(C)CCC.
What is the InChIKey of 1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one?
The InChIKey is JNQSYULEWNZRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-6-9(3)7(10)11-8(13)12(9)5-2/h4-6H2,1-3H3,(H2,10,11,13).
What are the key properties of 1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one?
1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one is sourced from PubChem (CID 138389354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).