5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one

C11H17N3O — CID 79967450

IUPAC5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1C1CC=CCC1
InChIInChI=1S/C11H17N3O/c1-2-14-9(10(12)13-11(14)15)8-6-4-3-5-7-8/h3-4,8-9H,2,5-7H2,1H3,(H2,12,13,15)
InChIKeyHBJCLBGUXZLRIX-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.52
Rot. Bonds2

About 5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one

5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one (PubChem CID 79967450) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one
PubChem CID79967450
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1C1CC=CCC1
InChIInChI=1S/C11H17N3O/c1-2-14-9(10(12)13-11(14)15)8-6-4-3-5-7-8/h3-4,8-9H,2,5-7H2,1H3,(H2,12,13,15)
InChIKeyHBJCLBGUXZLRIX-UHFFFAOYSA-N
XLogP1.52
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.52
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

5-amino-4-cyclohex-3-en-1-yl-3-prop-2-ynyl-4H-imidazol-2-one
CID 79967064
5-amino-4-cyclopentyl-3-ethyl-4H-imidazol-2-one
CID 79967090
5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one
CID 79967925
5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one
CID 79967176
5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one
CID 79966964
5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one
CID 79961456
5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one
CID 79961258
5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one
CID 114939050
5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one
CID 83095040
5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one
CID 113328663
5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one
CID 79968215
5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one
CID 79967736

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one (CID 79967450) is 5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one is CCN1C(=O)N=C(N)C1C1CC=CCC1.
What is the InChIKey of 5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one?
The InChIKey is HBJCLBGUXZLRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-14-9(10(12)13-11(14)15)8-6-4-3-5-7-8/h3-4,8-9H,2,5-7H2,1H3,(H2,12,13,15).
What are the key properties of 5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one?
5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one is sourced from PubChem (CID 79967450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).