5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one

C13H21N3O — CID 79966964

IUPAC5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1C1CCCCCC1
InChIInChI=1S/C13H21N3O/c1-2-9-16-11(12(14)15-13(16)17)10-7-5-3-4-6-8-10/h2,10-11H,1,3-9H2,(H2,14,15,17)
InChIKeyKYLSXFPLPWIABG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.30
Rot. Bonds3

About 5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one

5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one (PubChem CID 79966964) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one
PubChem CID79966964
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1C1CCCCCC1
InChIInChI=1S/C13H21N3O/c1-2-9-16-11(12(14)15-13(16)17)10-7-5-3-4-6-8-10/h2,10-11H,1,3-9H2,(H2,14,15,17)
InChIKeyKYLSXFPLPWIABG-UHFFFAOYSA-N
XLogP2.30
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
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 5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one (CID 79966964) is 5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one is C=CCN1C(=O)N=C(N)C1C1CCCCCC1.
What is the InChIKey of 5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one?
The InChIKey is KYLSXFPLPWIABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-9-16-11(12(14)15-13(16)17)10-7-5-3-4-6-8-10/h2,10-11H,1,3-9H2,(H2,14,15,17).
What are the key properties of 5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one?
5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one is sourced from PubChem (CID 79966964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).