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

C6H9N3O — CID 55283910

IUPAC4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one
SMILESNC/C=C/c1c[nH]c(=O)[nH]1
InChIInChI=1S/C6H9N3O/c7-3-1-2-5-4-8-6(10)9-5/h1-2,4H,3,7H2,(H2,8,9,10)/b2-1+
InChIKeyREVAUPDZNXNIEK-OWOJBTEDSA-N
MW139.16 g/mol
LogP-0.33
Rot. Bonds2

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

4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one (PubChem CID 55283910) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one
PubChem CID55283910
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one
SMILESNC/C=C/c1c[nH]c(=O)[nH]1
InChIInChI=1S/C6H9N3O/c7-3-1-2-5-4-8-6(10)9-5/h1-2,4H,3,7H2,(H2,8,9,10)/b2-1+
InChIKeyREVAUPDZNXNIEK-OWOJBTEDSA-N
XLogP-0.33
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one (CID 55283910) is 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one is NC/C=C/c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one?
The InChIKey is REVAUPDZNXNIEK-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H9N3O/c7-3-1-2-5-4-8-6(10)9-5/h1-2,4H,3,7H2,(H2,8,9,10)/b2-1+.
What are the key properties of 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one?
4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one has a molecular weight of 139.16 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 55283910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).