(1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

C15H24O2 — CID 129103074

IUPAC(1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CCC1(C)C2C(C)C
InChIInChI=1S/C15H24O2/c1-9(2)13-11-6-7-15(13,5)12(8-11)17-14(16)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3
InChIKeyFMVKULHMYOELPU-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.57
Rot. Bonds3

About (1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

(1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (PubChem CID 129103074) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
PubChem CID129103074
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CCC1(C)C2C(C)C
InChIInChI=1S/C15H24O2/c1-9(2)13-11-6-7-15(13,5)12(8-11)17-14(16)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3
InChIKeyFMVKULHMYOELPU-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.57
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

(2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) 2-methylprop-2-enoate
CID 129103079
2-methylprop-2-enoic acid;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 66952615
(4a-methyl-1-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl) 2-methylprop-2-enoate
CID 22168882
(3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate
CID 118603756
prop-2-enoic acid;[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 174869515
2-adamantyl 2-methylprop-2-enoate
CID 12039948
(1-isocyanato-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 142751751
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 18786802
2-ethyl-1-methyl-3-(2-methylprop-2-enoyloxy)cyclohexane-1,2-dicarboxylic acid
CID 152730237
(3-propan-2-yloxiran-2-yl) 2-methylprop-2-enoate
CID 141449628
[(1R,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl] 2-methylprop-2-enoate
CID 174537266
(2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate
CID 175512236

Frequently Asked Questions

What is the IUPAC name of (1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The IUPAC name of (1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (CID 129103074) is (1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The canonical SMILES for (1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2CCC1(C)C2C(C)C.
What is the InChIKey of (1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The InChIKey is FMVKULHMYOELPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-9(2)13-11-6-7-15(13,5)12(8-11)17-14(16)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3.
What are the key properties of (1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
(1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate has a molecular weight of 236.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-7-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 129103074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).