3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate

C15H22O2 — CID 142144961

IUPAC3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate
SMILESC=C1CCC2C3CCC(C3)C12.C=CC(=O)OC
InChIInChI=1S/C11H16.C4H6O2/c1-7-2-5-10-8-3-4-9(6-8)11(7)10;1-3-4(5)6-2/h8-11H,1-6H2;3H,1H2,2H3
InChIKeyNINKIXFTCUIYLV-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.34
Rot. Bonds1

About 3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate

3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate (PubChem CID 142144961) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate.

Molecular Properties

Compound Name3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate
PubChem CID142144961
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate
SMILESC=C1CCC2C3CCC(C3)C12.C=CC(=O)OC
InChIInChI=1S/C11H16.C4H6O2/c1-7-2-5-10-8-3-4-9(6-8)11(7)10;1-3-4(5)6-2/h8-11H,1-6H2;3H,1H2,2H3
InChIKeyNINKIXFTCUIYLV-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.34
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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Related Compounds

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3-chloroprop-1-ene;methyl prop-2-enoate
CID 19001181
chloroethene;1,1-dichloroethene;methyl prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate?
The IUPAC name of 3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate (CID 142144961) is 3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate.
What is the SMILES notation for 3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate?
The canonical SMILES for 3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate is C=C1CCC2C3CCC(C3)C12.C=CC(=O)OC.
What is the InChIKey of 3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate?
The InChIKey is NINKIXFTCUIYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C4H6O2/c1-7-2-5-10-8-3-4-9(6-8)11(7)10;1-3-4(5)6-2/h8-11H,1-6H2;3H,1H2,2H3.
What are the key properties of 3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate?
3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate has a molecular weight of 234.34 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenetricyclo[5.2.1.02,6]decane;methyl prop-2-enoate is sourced from PubChem (CID 142144961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).