2-bicyclo[2.2.1]heptanylmethyl propanoate

C11H18O2 — CID 15745026

IUPAC2-bicyclo[2.2.1]heptanylmethyl propanoate
SMILESCCC(=O)OCC1CC2CCC1C2
InChIInChI=1S/C11H18O2/c1-2-11(12)13-7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3
InChIKeyILYGOVBAIRGHAB-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.38
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanylmethyl propanoate

2-bicyclo[2.2.1]heptanylmethyl propanoate (PubChem CID 15745026) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanylmethyl propanoate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanylmethyl propanoate
PubChem CID15745026
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-bicyclo[2.2.1]heptanylmethyl propanoate
SMILESCCC(=O)OCC1CC2CCC1C2
InChIInChI=1S/C11H18O2/c1-2-11(12)13-7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3
InChIKeyILYGOVBAIRGHAB-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bicyclo[2.2.1]heptanylmethyl propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-norbornanecarboxylate
CID 261531
Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-, methyl ester
CID 103659
Ethyl bicyclo(2.2.1)heptane-2-carboxylate
CID 108540
4,7-Methano-1H-indenemethanol, octahydro-, acetate
CID 161675
Bicyclo[2.2.1]heptane-2-methanol, 5,6-dimethyl-1-(1-methylethyl)-, 2-acetate
CID 86115
2-Methylbicyclo[2.2.1]heptane-2-carboxylic acid methyl ester
CID 524298
Ethyl bicyclo[2.2.1]hept-2-ylacetate
CID 15312317
4,7-Methano-1H-indene-2-methanol, octahydro-, 2-acetate
CID 115844
(-)-Isolongifolol, acetate
CID 14634627
Ethyl 2,5-endomethylenecyclohexanecarboxylate
CID 21118411
4,7-Methano-1H-indene-2-carboxylic acid, octahydro-, ethyl ester
CID 109169
4,7-Methano-1H-indene-5-carboxylic acid, octahydro-, ethyl ester
CID 109171

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanylmethyl propanoate?
The IUPAC name of 2-bicyclo[2.2.1]heptanylmethyl propanoate (CID 15745026) is 2-bicyclo[2.2.1]heptanylmethyl propanoate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanylmethyl propanoate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanylmethyl propanoate is CCC(=O)OCC1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanylmethyl propanoate?
The InChIKey is ILYGOVBAIRGHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-11(12)13-7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanylmethyl propanoate?
2-bicyclo[2.2.1]heptanylmethyl propanoate has a molecular weight of 182.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanylmethyl propanoate is sourced from PubChem (CID 15745026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).