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

C12H16O2 — CID 139688528

IUPAC(1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CC2CCC1(C)C2
InChIInChI=1S/C12H16O2/c1-8(2)11(13)14-10-6-9-4-5-12(10,3)7-9/h6,9H,1,4-5,7H2,2-3H3
InChIKeyPSVYPBWOCXTJGP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.81
Rot. Bonds2

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

(1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate (PubChem CID 139688528) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate
PubChem CID139688528
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CC2CCC1(C)C2
InChIInChI=1S/C12H16O2/c1-8(2)11(13)14-10-6-9-4-5-12(10,3)7-9/h6,9H,1,4-5,7H2,2-3H3
InChIKeyPSVYPBWOCXTJGP-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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

1-Bicyclo[2.2.1]hept-2-enylmethyl 2-methylprop-2-enoate
CID 21844562
2-(2-Bicyclo[2.2.1]hept-2-enyl)propan-2-yl 2-methylprop-2-enoate
CID 22278115
2-Bicyclo[2.2.1]hept-2-enyl 2-methylprop-2-enoate
CID 53671346
(5-Ethylidene-2-bicyclo[2.2.1]hept-2-enyl) prop-2-enoate
CID 53917515
2-Bicyclo[2.2.1]hept-2-enyl prop-2-enoate
CID 54013059
2-Bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate
CID 66874701
[(4R)-2-bicyclo[2.2.1]hept-2-enyl] butanoate
CID 67894983
[(1R)-2-bicyclo[2.2.1]hept-2-enyl] butanoate
CID 67894985
(3-Ethenyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate
CID 69745562
[1-(Methoxymethyl)-2-bicyclo[2.2.1]hept-2-enyl] 2-methylprop-2-enoate
CID 88978642
[7-(Methoxymethyl)-2-bicyclo[2.2.1]hept-2-enyl] 2-methylprop-2-enoate
CID 88978643
(1,3-Dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate
CID 89094137

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate?
The IUPAC name of (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate (CID 139688528) is (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate?
The canonical SMILES for (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1=CC2CCC1(C)C2.
What is the InChIKey of (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate?
The InChIKey is PSVYPBWOCXTJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8(2)11(13)14-10-6-9-4-5-12(10,3)7-9/h6,9H,1,4-5,7H2,2-3H3.
What are the key properties of (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate?
(1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate has a molecular weight of 192.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate is sourced from PubChem (CID 139688528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).