methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate

C12H16O2 — CID 139688530

IUPACmethyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate
SMILESC=C(CC12C=CC(CC1)C2)C(=O)OC
InChIInChI=1S/C12H16O2/c1-9(11(13)14-2)7-12-5-3-10(8-12)4-6-12/h3,5,10H,1,4,6-8H2,2H3
InChIKeyMJGIHLJCXKTAPD-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.46
Rot. Bonds3

About methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate

methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate (PubChem CID 139688530) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate
PubChem CID139688530
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namemethyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate
SMILESC=C(CC12C=CC(CC1)C2)C(=O)OC
InChIInChI=1S/C12H16O2/c1-9(11(13)14-2)7-12-5-3-10(8-12)4-6-12/h3,5,10H,1,4,6-8H2,2H3
InChIKeyMJGIHLJCXKTAPD-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate
CID 155012143
(1-methylcyclohexyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate
CID 155045374
3-(1-bicyclo[2.2.1]hept-2-enyl)propyl 2-methylprop-2-eneperoxoate
CID 176907341
methyl (1S,2R,4R)-1-methoxy-2-(2-methoxy-2-oxoethyl)bicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 101121403
methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate
CID 100934695
[3-(1-bicyclo[2.2.1]hept-2-enyl)-1,1-dichloropropyl]silane
CID 173337346
3-methoxycarbonylbut-3-enoic acid
CID 4613903
hydron;methyl 2-methylidenebutanoate
CID 174760127
4-O-(1-cyclohexylcyclopropyl) 1-O-methyl 2-methylidenebutanedioate
CID 155255762
methyl 2-[[2-(1-adamantyl)acetyl]amino]prop-2-enoate
CID 101073433
bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane
CID 173193263
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate?
The IUPAC name of methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate (CID 139688530) is methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate?
The canonical SMILES for methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate is C=C(CC12C=CC(CC1)C2)C(=O)OC.
What is the InChIKey of methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate?
The InChIKey is MJGIHLJCXKTAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(11(13)14-2)7-12-5-3-10(8-12)4-6-12/h3,5,10H,1,4,6-8H2,2H3.
What are the key properties of methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate?
methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate has a molecular weight of 192.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate is sourced from PubChem (CID 139688530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).