2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate

C8H12N2O2 — CID 154502708

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1=NCCN1
InChIInChI=1S/C8H12N2O2/c1-2-8(11)12-6-3-7-9-4-5-10-7/h2H,1,3-6H2,(H,9,10)
InChIKeyBYLNSVBPRUVJPV-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.11
Rot. Bonds4

About 2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate

2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate (PubChem CID 154502708) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate
PubChem CID154502708
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1=NCCN1
InChIInChI=1S/C8H12N2O2/c1-2-8(11)12-6-3-7-9-4-5-10-7/h2H,1,3-6H2,(H,9,10)
InChIKeyBYLNSVBPRUVJPV-UHFFFAOYSA-N
XLogP0.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole
CID 173419263
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine
CID 172733974
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-pyridin-3-yloxyethyl prop-2-enoate
CID 59502785
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide
CID 175248115
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid
CID 66614485
carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium
CID 58731460

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate (CID 154502708) is 2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate is C=CC(=O)OCCC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate?
The InChIKey is BYLNSVBPRUVJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-8(11)12-6-3-7-9-4-5-10-7/h2H,1,3-6H2,(H,9,10).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate?
2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate has a molecular weight of 168.20 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)ethyl prop-2-enoate is sourced from PubChem (CID 154502708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).