4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one

C11H16N2O — CID 143435886

IUPAC4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one
SMILESC/C=C\Cc1c(C)[nH]c(=O)n1C1CC1
InChIInChI=1S/C11H16N2O/c1-3-4-5-10-8(2)12-11(14)13(10)9-6-7-9/h3-4,9H,5-7H2,1-2H3,(H,12,14)/b4-3-
InChIKeyGDKHJDWRMQXFCO-ARJAWSKDSA-N
MW192.26 g/mol
LogP1.94
Rot. Bonds3

About 4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one

4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one (PubChem CID 143435886) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one
PubChem CID143435886
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one
SMILESC/C=C\Cc1c(C)[nH]c(=O)n1C1CC1
InChIInChI=1S/C11H16N2O/c1-3-4-5-10-8(2)12-11(14)13(10)9-6-7-9/h3-4,9H,5-7H2,1-2H3,(H,12,14)/b4-3-
InChIKeyGDKHJDWRMQXFCO-ARJAWSKDSA-N
XLogP1.94
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.94
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 4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one?
The IUPAC name of 4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one (CID 143435886) is 4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one.
What is the SMILES notation for 4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one?
The canonical SMILES for 4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one is C/C=C\Cc1c(C)[nH]c(=O)n1C1CC1.
What is the InChIKey of 4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one?
The InChIKey is GDKHJDWRMQXFCO-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-4-5-10-8(2)12-11(14)13(10)9-6-7-9/h3-4,9H,5-7H2,1-2H3,(H,12,14)/b4-3-.
What are the key properties of 4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one?
4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one is sourced from PubChem (CID 143435886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).