4,5-dihydroimidazol-1-yl prop-2-enoate

C6H8N2O2 — CID 175302816

IUPAC4,5-dihydroimidazol-1-yl prop-2-enoate
SMILESC=CC(=O)ON1C=NCC1
InChIInChI=1S/C6H8N2O2/c1-2-6(9)10-8-4-3-7-5-8/h2,5H,1,3-4H2
InChIKeyIXENMKKGUSOZKO-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.03
Rot. Bonds2

About 4,5-dihydroimidazol-1-yl prop-2-enoate

4,5-dihydroimidazol-1-yl prop-2-enoate (PubChem CID 175302816) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4,5-dihydroimidazol-1-yl prop-2-enoate.

Molecular Properties

Compound Name4,5-dihydroimidazol-1-yl prop-2-enoate
PubChem CID175302816
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name4,5-dihydroimidazol-1-yl prop-2-enoate
SMILESC=CC(=O)ON1C=NCC1
InChIInChI=1S/C6H8N2O2/c1-2-6(9)10-8-4-3-7-5-8/h2,5H,1,3-4H2
InChIKeyIXENMKKGUSOZKO-UHFFFAOYSA-N
XLogP-0.03
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate
CID 90804092
bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate
CID 175512034
azetidin-1-yl prop-2-enoate
CID 23366575
1-(4,5-dihydroimidazol-1-yl)but-3-en-1-one
CID 70108216
4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 174834135
(4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate
CID 101010227
1-ethenyl-4,5-dihydroimidazole;methyl hydrogen sulfate
CID 175830686
(2,5-dioxopyrrol-1-yl) prop-2-enoate
CID 87099539
4,5-dihydroimidazole-1-carboxylate
CID 20554060
1,3-dioxol-2-yl prop-2-enoate
CID 140978089
11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
CID 89290617
(2,5-dioxopiperidin-1-yl) prop-2-enoate
CID 143635635

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazol-1-yl prop-2-enoate?
The IUPAC name of 4,5-dihydroimidazol-1-yl prop-2-enoate (CID 175302816) is 4,5-dihydroimidazol-1-yl prop-2-enoate.
What is the SMILES notation for 4,5-dihydroimidazol-1-yl prop-2-enoate?
The canonical SMILES for 4,5-dihydroimidazol-1-yl prop-2-enoate is C=CC(=O)ON1C=NCC1.
What is the InChIKey of 4,5-dihydroimidazol-1-yl prop-2-enoate?
The InChIKey is IXENMKKGUSOZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-6(9)10-8-4-3-7-5-8/h2,5H,1,3-4H2.
What are the key properties of 4,5-dihydroimidazol-1-yl prop-2-enoate?
4,5-dihydroimidazol-1-yl prop-2-enoate has a molecular weight of 140.14 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazol-1-yl prop-2-enoate is sourced from PubChem (CID 175302816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).