ethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate

C11H14O2 — CID 164666506

IUPACethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESC=C1C(C(=O)OCC)C2C=C[C@H]1C2
InChIInChI=1S/C11H14O2/c1-3-13-11(12)10-7(2)8-4-5-9(10)6-8/h4-5,8-10H,2-3,6H2,1H3/t8-,9?,10?/m0/s1
InChIKeyPLJWKDQFACGBGR-IDKOKCKLSA-N
MW178.23 g/mol
LogP1.93
Rot. Bonds2

About ethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate

ethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 164666506) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is ethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID164666506
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Nameethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESC=C1C(C(=O)OCC)C2C=C[C@H]1C2
InChIInChI=1S/C11H14O2/c1-3-13-11(12)10-7(2)8-4-5-9(10)6-8/h4-5,8-10H,2-3,6H2,1H3/t8-,9?,10?/m0/s1
InChIKeyPLJWKDQFACGBGR-IDKOKCKLSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (11S,12S)-7-chloro-3-azatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7,13-pentaene-11-carboxylate
CID 135213354
ethyl (1R,2S,3S,4S)-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 102174206
ethyl (1R,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 46835766
ethyl (1R,2R,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 86327414
ethyl (1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10899051
ethyl (2R,3S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 13396162
(1S,2S,3S,4R)-3-ethoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 13005433
ethyl (1S,2R,3S,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11886809
ethyl (1S)-2-methylidenecyclobutane-1-carboxylate
CID 66915598
ethyl (1R,2R,3R,4S)-3-chlorobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 130762369
ethyl cycloprop-2-ene-1-carboxylate
CID 14936132
ethyl (3S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 34175728

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of ethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 164666506) is ethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for ethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for ethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate is C=C1C(C(=O)OCC)C2C=C[C@H]1C2.
What is the InChIKey of ethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is PLJWKDQFACGBGR-IDKOKCKLSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-13-11(12)10-7(2)8-4-5-9(10)6-8/h4-5,8-10H,2-3,6H2,1H3/t8-,9?,10?/m0/s1.
What are the key properties of ethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate?
ethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 178.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-3-methylidenebicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 164666506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).