1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate

C11H10O3 — CID 163701901

IUPAC1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)c1cc2ccc1o2
InChIInChI=1S/C11H10O3/c1-3-11(12)13-7(2)9-6-8-4-5-10(9)14-8/h3-7H,1H2,2H3
InChIKeyNGBDPYCUMYQGPA-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.66
Rot. Bonds3

About 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate

1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate (PubChem CID 163701901) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate
PubChem CID163701901
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)c1cc2ccc1o2
InChIInChI=1S/C11H10O3/c1-3-11(12)13-7(2)9-6-8-4-5-10(9)14-8/h3-7H,1H2,2H3
InChIKeyNGBDPYCUMYQGPA-UHFFFAOYSA-N
XLogP2.66
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate with MolForge

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Related Compounds

1-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)ethyl prop-2-enoate
CID 176884512
1-phenylethyl prop-2-enoate
CID 175321764
3,4-bis(1-prop-2-enoyloxyethyl)phthalic acid
CID 18934233
1-(2-acetyloxyphenyl)ethyl prop-2-enoate
CID 175062364
1-[2-(methylamino)phenyl]ethyl prop-2-enoate
CID 70261279
1-[2,4-bis(phenylsulfanyl)phenyl]ethyl prop-2-enoate
CID 118070006
1-(3,4-dinitrophenyl)ethyl prop-2-enoate
CID 88709141
1-(4-methylsulfanylphenyl)ethyl prop-2-enoate
CID 156761876
1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate
CID 139655481
1-[3-(morpholin-4-ylmethyl)phenyl]ethyl prop-2-enoate
CID 141095807
1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate
CID 18934405
[3,4-di(propan-2-yl)phenyl] prop-2-enoate
CID 168959354

Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate (CID 163701901) is 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate is C=CC(=O)OC(C)c1cc2ccc1o2.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate?
The InChIKey is NGBDPYCUMYQGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-3-11(12)13-7(2)9-6-8-4-5-10(9)14-8/h3-7H,1H2,2H3.
What are the key properties of 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate?
1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate has a molecular weight of 190.20 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate is sourced from PubChem (CID 163701901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).