2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide

C11H15N3O — CID 63563325

IUPAC2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide
SMILESO=C(CC1=CCCCC1)Nc1ncc[nH]1
InChIInChI=1S/C11H15N3O/c15-10(14-11-12-6-7-13-11)8-9-4-2-1-3-5-9/h4,6-7H,1-3,5,8H2,(H2,12,13,14,15)
InChIKeyCIIHITXMBJAOAS-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.24
Rot. Bonds3

About 2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide

2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide (PubChem CID 63563325) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide
PubChem CID63563325
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide
SMILESO=C(CC1=CCCCC1)Nc1ncc[nH]1
InChIInChI=1S/C11H15N3O/c15-10(14-11-12-6-7-13-11)8-9-4-2-1-3-5-9/h4,6-7H,1-3,5,8H2,(H2,12,13,14,15)
InChIKeyCIIHITXMBJAOAS-UHFFFAOYSA-N
XLogP2.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide (CID 63563325) is 2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide is O=C(CC1=CCCCC1)Nc1ncc[nH]1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide?
The InChIKey is CIIHITXMBJAOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-10(14-11-12-6-7-13-11)8-9-4-2-1-3-5-9/h4,6-7H,1-3,5,8H2,(H2,12,13,14,15).
What are the key properties of 2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide?
2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide has a molecular weight of 205.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 63563325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).