3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one

C14H17N3O — CID 117360365

IUPAC3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1-c1cccc(/C=C/CN)c1
InChIInChI=1S/C14H17N3O/c1-11-10-16(2)14(18)17(11)13-7-3-5-12(9-13)6-4-8-15/h3-7,9-10H,8,15H2,1-2H3/b6-4+
InChIKeyAXKSQGWRAILSCU-GQCTYLIASA-N
MW243.31 g/mol
LogP1.46
Rot. Bonds3

About 3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one

3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one (PubChem CID 117360365) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one.

Molecular Properties

Compound Name3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one
PubChem CID117360365
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1-c1cccc(/C=C/CN)c1
InChIInChI=1S/C14H17N3O/c1-11-10-16(2)14(18)17(11)13-7-3-5-12(9-13)6-4-8-15/h3-7,9-10H,8,15H2,1-2H3/b6-4+
InChIKeyAXKSQGWRAILSCU-GQCTYLIASA-N
XLogP1.46
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one?
The IUPAC name of 3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one (CID 117360365) is 3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one.
What is the SMILES notation for 3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one?
The canonical SMILES for 3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one is Cc1cn(C)c(=O)n1-c1cccc(/C=C/CN)c1.
What is the InChIKey of 3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one?
The InChIKey is AXKSQGWRAILSCU-GQCTYLIASA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-10-16(2)14(18)17(11)13-7-3-5-12(9-13)6-4-8-15/h3-7,9-10H,8,15H2,1-2H3/b6-4+.
What are the key properties of 3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one?
3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one is sourced from PubChem (CID 117360365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).