4,5-dihydroimidazol-1-yl propanoate

C6H10N2O2 — CID 56996617

IUPAC4,5-dihydroimidazol-1-yl propanoate
SMILESCCC(=O)ON1C=NCC1
InChIInChI=1S/C6H10N2O2/c1-2-6(9)10-8-4-3-7-5-8/h5H,2-4H2,1H3
InChIKeyRLARVTLHFOBQAX-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.20
Rot. Bonds2

About 4,5-dihydroimidazol-1-yl propanoate

4,5-dihydroimidazol-1-yl propanoate (PubChem CID 56996617) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 4,5-dihydroimidazol-1-yl propanoate.

Molecular Properties

Compound Name4,5-dihydroimidazol-1-yl propanoate
PubChem CID56996617
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name4,5-dihydroimidazol-1-yl propanoate
SMILESCCC(=O)ON1C=NCC1
InChIInChI=1S/C6H10N2O2/c1-2-6(9)10-8-4-3-7-5-8/h5H,2-4H2,1H3
InChIKeyRLARVTLHFOBQAX-UHFFFAOYSA-N
XLogP0.20
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazol-1-yl propanoate?
The IUPAC name of 4,5-dihydroimidazol-1-yl propanoate (CID 56996617) is 4,5-dihydroimidazol-1-yl propanoate.
What is the SMILES notation for 4,5-dihydroimidazol-1-yl propanoate?
The canonical SMILES for 4,5-dihydroimidazol-1-yl propanoate is CCC(=O)ON1C=NCC1.
What is the InChIKey of 4,5-dihydroimidazol-1-yl propanoate?
The InChIKey is RLARVTLHFOBQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-6(9)10-8-4-3-7-5-8/h5H,2-4H2,1H3.
What are the key properties of 4,5-dihydroimidazol-1-yl propanoate?
4,5-dihydroimidazol-1-yl propanoate has a molecular weight of 142.16 g/mol, XLogP of 0.20, 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 propanoate is sourced from PubChem (CID 56996617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).