1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate

C14H20O4 — CID 175853176

IUPAC1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate
SMILESC=CC(=O)OC.C=CC(=O)OC12CCC(CC1)C2
InChIInChI=1S/C10H14O2.C4H6O2/c1-2-9(11)12-10-5-3-8(7-10)4-6-10;1-3-4(5)6-2/h2,8H,1,3-7H2;3H,1H2,2H3
InChIKeyAWJSRDQNCHXDJP-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.39
Rot. Bonds3

About 1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate

1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate (PubChem CID 175853176) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate
PubChem CID175853176
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate
SMILESC=CC(=O)OC.C=CC(=O)OC12CCC(CC1)C2
InChIInChI=1S/C10H14O2.C4H6O2/c1-2-9(11)12-10-5-3-8(7-10)4-6-10;1-3-4(5)6-2/h2,8H,1,3-7H2;3H,1H2,2H3
InChIKeyAWJSRDQNCHXDJP-UHFFFAOYSA-N
XLogP2.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.39
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

1-bicyclo[7.2.1]dodecanyl prop-2-enoate
CID 169221867
1-bicyclo[2.2.1]heptanyl prop-2-enoate;ethene;ethenyl acetate
CID 86759008
1-bicyclo[3.3.2]decanyl prop-2-enoate
CID 164546503
1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate
CID 68502130
(3-buta-1,3-dien-2-yloxy-5-prop-2-enoyloxy-1-adamantyl) prop-2-enoate
CID 88927997
1-bicyclo[4.4.3]tridecanyl prop-2-enoate
CID 169221780
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
cyclobutane;methyl prop-2-enoate;hydrate
CID 157183952
diiodolead;methyl prop-2-enoate
CID 175762695
[3,5-bis(2-hydroxyethoxy)-1-adamantyl] prop-2-enoate
CID 70171220
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate?
The IUPAC name of 1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate (CID 175853176) is 1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate?
The canonical SMILES for 1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate is C=CC(=O)OC.C=CC(=O)OC12CCC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate?
The InChIKey is AWJSRDQNCHXDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C4H6O2/c1-2-9(11)12-10-5-3-8(7-10)4-6-10;1-3-4(5)6-2/h2,8H,1,3-7H2;3H,1H2,2H3.
What are the key properties of 1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate?
1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate has a molecular weight of 252.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate is sourced from PubChem (CID 175853176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).