1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate

C12H16O2 — CID 155725185

IUPAC1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12CC3CCC1C2C3
InChIInChI=1S/C12H16O2/c1-7(2)11(13)14-12-6-8-3-4-9(12)10(12)5-8/h8-10H,1,3-6H2,2H3
InChIKeyCNTGQSKJWYYLIT-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.29
Rot. Bonds2

About 1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate

1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate (PubChem CID 155725185) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate
PubChem CID155725185
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12CC3CCC1C2C3
InChIInChI=1S/C12H16O2/c1-7(2)11(13)14-12-6-8-3-4-9(12)10(12)5-8/h8-10H,1,3-6H2,2H3
InChIKeyCNTGQSKJWYYLIT-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate
CID 90127678
[(2S)-2-ethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 101419322
(2-cyclohexyl-1-adamantyl) 2-methylprop-2-enoate
CID 156808490
(8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate
CID 148584656
[1-(2-bicyclo[2.2.1]heptanyl)-2-propylcyclohexyl] 2-methylprop-2-enoate
CID 122533352
(1,2-dicyclohexylcyclohexyl) 2-methylprop-2-enoate
CID 122533391
(2,2-dihydroxy-1-adamantyl) 2-methylprop-2-enoate
CID 66666665
[4-(2-bicyclo[2.2.1]heptanyl)spiro[4.4]nonan-4-yl] 2-methylprop-2-enoate
CID 122533403
(2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate
CID 20700758
(1-hydroxy-2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate
CID 66766626
2-(2-methylprop-2-enoyloxy)tricyclo[3.2.1.02,4]octane-6-carboxylic acid
CID 149466474
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617

Frequently Asked Questions

What is the IUPAC name of 1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate?
The IUPAC name of 1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate (CID 155725185) is 1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate?
The canonical SMILES for 1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate is C=C(C)C(=O)OC12CC3CCC1C2C3.
What is the InChIKey of 1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate?
The InChIKey is CNTGQSKJWYYLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-7(2)11(13)14-12-6-8-3-4-9(12)10(12)5-8/h8-10H,1,3-6H2,2H3.
What are the key properties of 1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate?
1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate has a molecular weight of 192.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate is sourced from PubChem (CID 155725185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).