2-cinnolin-4-yloxyethyl prop-2-enoate

C13H12N2O3 — CID 59502687

IUPAC2-cinnolin-4-yloxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cnnc2ccccc12
InChIInChI=1S/C13H12N2O3/c1-2-13(16)18-8-7-17-12-9-14-15-11-6-4-3-5-10(11)12/h2-6,9H,1,7-8H2
InChIKeyUGBCJEWFXHEPIX-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.74
Rot. Bonds5

About 2-cinnolin-4-yloxyethyl prop-2-enoate

2-cinnolin-4-yloxyethyl prop-2-enoate (PubChem CID 59502687) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-cinnolin-4-yloxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-cinnolin-4-yloxyethyl prop-2-enoate
PubChem CID59502687
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-cinnolin-4-yloxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cnnc2ccccc12
InChIInChI=1S/C13H12N2O3/c1-2-13(16)18-8-7-17-12-9-14-15-11-6-4-3-5-10(11)12/h2-6,9H,1,7-8H2
InChIKeyUGBCJEWFXHEPIX-UHFFFAOYSA-N
XLogP1.74
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-quinoxalin-2-yloxyethyl prop-2-enoate
CID 59502779
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
2-(2-nitrophenoxy)ethyl prop-2-enoate
CID 102248252
2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate
CID 118232952
2-(2,3-diaminophenoxy)ethyl prop-2-enoate
CID 141212699
2-(2-propylphenoxy)ethyl prop-2-enoate
CID 154077444
2-anthracen-9-ylethyl prop-2-enoate
CID 18335281
2-pyridin-3-yloxyethyl prop-2-enoate
CID 59502785
2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid
CID 22348600
2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate
CID 54505506
2-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048

Frequently Asked Questions

What is the IUPAC name of 2-cinnolin-4-yloxyethyl prop-2-enoate?
The IUPAC name of 2-cinnolin-4-yloxyethyl prop-2-enoate (CID 59502687) is 2-cinnolin-4-yloxyethyl prop-2-enoate.
What is the SMILES notation for 2-cinnolin-4-yloxyethyl prop-2-enoate?
The canonical SMILES for 2-cinnolin-4-yloxyethyl prop-2-enoate is C=CC(=O)OCCOc1cnnc2ccccc12.
What is the InChIKey of 2-cinnolin-4-yloxyethyl prop-2-enoate?
The InChIKey is UGBCJEWFXHEPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-2-13(16)18-8-7-17-12-9-14-15-11-6-4-3-5-10(11)12/h2-6,9H,1,7-8H2.
What are the key properties of 2-cinnolin-4-yloxyethyl prop-2-enoate?
2-cinnolin-4-yloxyethyl prop-2-enoate has a molecular weight of 244.25 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cinnolin-4-yloxyethyl prop-2-enoate is sourced from PubChem (CID 59502687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).