(3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

C12H18O2 — CID 101111135

IUPAC(3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C2CCC(C2)C1C
InChIInChI=1S/C12H18O2/c1-7(2)12(13)14-11-8(3)9-4-5-10(11)6-9/h8-11H,1,4-6H2,2-3H3
InChIKeyIGBQULOXKYTKGM-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.54
Rot. Bonds2

About (3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

(3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (PubChem CID 101111135) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
PubChem CID101111135
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C2CCC(C2)C1C
InChIInChI=1S/C12H18O2/c1-7(2)12(13)14-11-8(3)9-4-5-10(11)6-9/h8-11H,1,4-6H2,2-3H3
InChIKeyIGBQULOXKYTKGM-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.54
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

2-adamantyl 2-methylprop-2-enoate
CID 12039948
(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 66694520
ethane;methyl 2-methylprop-2-enoate;tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91494272
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate
CID 164845118
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
[(1R)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl] 2-methylprop-2-enoate
CID 18448264
3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid
CID 67023090
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
oxiran-2-yl 2-methylprop-2-enoate
CID 20678066

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The IUPAC name of (3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (CID 101111135) is (3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The canonical SMILES for (3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1C2CCC(C2)C1C.
What is the InChIKey of (3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The InChIKey is IGBQULOXKYTKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-7(2)12(13)14-11-8(3)9-4-5-10(11)6-9/h8-11H,1,4-6H2,2-3H3.
What are the key properties of (3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
(3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate has a molecular weight of 194.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 101111135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).