1-pent-4-enyl-3-propan-2-ylimidazol-2-one

C11H18N2O — CID 116625080

IUPAC1-pent-4-enyl-3-propan-2-ylimidazol-2-one
SMILESC=CCCCn1ccn(C(C)C)c1=O
InChIInChI=1S/C11H18N2O/c1-4-5-6-7-12-8-9-13(10(2)3)11(12)14/h4,8-10H,1,5-7H2,2-3H3
InChIKeyRGNCZPPZZYZOHA-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.20
Rot. Bonds5

About 1-pent-4-enyl-3-propan-2-ylimidazol-2-one

1-pent-4-enyl-3-propan-2-ylimidazol-2-one (PubChem CID 116625080) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-pent-4-enyl-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-pent-4-enyl-3-propan-2-ylimidazol-2-one
PubChem CID116625080
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-pent-4-enyl-3-propan-2-ylimidazol-2-one
SMILESC=CCCCn1ccn(C(C)C)c1=O
InChIInChI=1S/C11H18N2O/c1-4-5-6-7-12-8-9-13(10(2)3)11(12)14/h4,8-10H,1,5-7H2,2-3H3
InChIKeyRGNCZPPZZYZOHA-UHFFFAOYSA-N
XLogP2.20
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enyl-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-pent-4-enyl-3-propan-2-ylimidazol-2-one (CID 116625080) is 1-pent-4-enyl-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-pent-4-enyl-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-pent-4-enyl-3-propan-2-ylimidazol-2-one is C=CCCCn1ccn(C(C)C)c1=O.
What is the InChIKey of 1-pent-4-enyl-3-propan-2-ylimidazol-2-one?
The InChIKey is RGNCZPPZZYZOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-5-6-7-12-8-9-13(10(2)3)11(12)14/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 1-pent-4-enyl-3-propan-2-ylimidazol-2-one?
1-pent-4-enyl-3-propan-2-ylimidazol-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enyl-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 116625080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).