4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one

C13H23N3O — CID 79966947

IUPAC4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1(CC)CC(C)CC
InChIInChI=1S/C13H23N3O/c1-5-8-16-12(17)15-11(14)13(16,7-3)9-10(4)6-2/h5,10H,1,6-9H2,2-4H3,(H2,14,15,17)
InChIKeyVMBRYMBOHYYFHR-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.55
Rot. Bonds6

About 4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one

4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one (PubChem CID 79966947) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one
PubChem CID79966947
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1(CC)CC(C)CC
InChIInChI=1S/C13H23N3O/c1-5-8-16-12(17)15-11(14)13(16,7-3)9-10(4)6-2/h5,10H,1,6-9H2,2-4H3,(H2,14,15,17)
InChIKeyVMBRYMBOHYYFHR-UHFFFAOYSA-N
XLogP2.55
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-prop-2-enyl-5,5-dipropylimidazol-2-one
CID 79968076
4-amino-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967780
4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one
CID 79960861
4-amino-7-propan-2-yl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 107450747
4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967426
4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one
CID 79959823
4-amino-5,5-dipropyl-1-prop-2-ynylimidazol-2-one
CID 79966977
4-amino-5,5-dimethyl-1-propylimidazol-2-one
CID 79959875
4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967017
4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one
CID 79967581
4-amino-5-cyclopropyl-1,5-diethylimidazol-2-one
CID 79961990
4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79959475

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one?
The IUPAC name of 4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one (CID 79966947) is 4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one.
What is the SMILES notation for 4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one?
The canonical SMILES for 4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one is C=CCN1C(=O)N=C(N)C1(CC)CC(C)CC.
What is the InChIKey of 4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one?
The InChIKey is VMBRYMBOHYYFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-8-16-12(17)15-11(14)13(16,7-3)9-10(4)6-2/h5,10H,1,6-9H2,2-4H3,(H2,14,15,17).
What are the key properties of 4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one?
4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one is sourced from PubChem (CID 79966947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).