(2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

C12H16O2 — CID 141174149

IUPAC(2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12CCC(CC1=C)C2
InChIInChI=1S/C12H16O2/c1-8(2)11(13)14-12-5-4-10(7-12)6-9(12)3/h10H,1,3-7H2,2H3
InChIKeyISEPYEABFCQZFU-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.60
Rot. Bonds2

About (2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

(2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (PubChem CID 141174149) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
PubChem CID141174149
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12CCC(CC1=C)C2
InChIInChI=1S/C12H16O2/c1-8(2)11(13)14-12-5-4-10(7-12)6-9(12)3/h10H,1,3-7H2,2H3
InChIKeyISEPYEABFCQZFU-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.60
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

(2,3-dioxo-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 139917267
(1,2-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 20820775
(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 140650831
1-bicyclo[5.5.2]tetradecanyl 2-methylprop-2-enoate
CID 164546417
1-bicyclo[6.2.2]dodecanyl 2-methylprop-2-enoate
CID 164546621
1-bicyclo[5.3.2]dodecanyl 2-methylprop-2-enoate
CID 164546575
(3-methoxy-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
CID 58844059
1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate
CID 155725185
[1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate
CID 168890716
[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate
CID 168800149
(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 174204067
(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
CID 164546927

Frequently Asked Questions

What is the IUPAC name of (2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The IUPAC name of (2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (CID 141174149) is (2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC12CCC(CC1=C)C2.
What is the InChIKey of (2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The InChIKey is ISEPYEABFCQZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8(2)11(13)14-12-5-4-10(7-12)6-9(12)3/h10H,1,3-7H2,2H3.
What are the key properties of (2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
(2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate has a molecular weight of 192.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 141174149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).