(6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate

C12H16O2 — CID 22138483

IUPAC(6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12C=CC(CC1C)C2
InChIInChI=1S/C12H16O2/c1-8(2)11(13)14-12-5-4-10(7-12)6-9(12)3/h4-5,9-10H,1,6-7H2,2-3H3
InChIKeyCGTYIRVBBROIJX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.46
Rot. Bonds2

About (6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate

(6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate (PubChem CID 22138483) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate
PubChem CID22138483
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12C=CC(CC1C)C2
InChIInChI=1S/C12H16O2/c1-8(2)11(13)14-12-5-4-10(7-12)6-9(12)3/h4-5,9-10H,1,6-7H2,2-3H3
InChIKeyCGTYIRVBBROIJX-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of (6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate?
The IUPAC name of (6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate (CID 22138483) is (6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate.
What is the SMILES notation for (6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate?
The canonical SMILES for (6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC12C=CC(CC1C)C2.
What is the InChIKey of (6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate?
The InChIKey is CGTYIRVBBROIJX-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/h4-5,9-10H,1,6-7H2,2-3H3.
What are the key properties of (6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate?
(6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate has a molecular weight of 192.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate is sourced from PubChem (CID 22138483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).