Methyl 2-norbornanecarboxylate

C9H14O2 — CID 261531

IUPACmethyl bicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)C1CC2CCC1C2
InChIInChI=1S/C9H14O2/c1-11-9(10)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3
InChIKeyBWGIKEUGPCOETD-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.10
Rot. Bonds2

About Methyl 2-norbornanecarboxylate

Methyl 2-norbornanecarboxylate (PubChem CID 261531) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is methyl bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound NameMethyl 2-norbornanecarboxylate
PubChem CID261531
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namemethyl bicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)C1CC2CCC1C2
InChIInChI=1S/C9H14O2/c1-11-9(10)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3
InChIKeyBWGIKEUGPCOETD-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity176

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-
CID 99843
4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester
CID 14833045
Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-, methyl ester
CID 103659
Bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79113
Norborn-2-ylacetic acid
CID 79139
Ethyl (1R,2R,6R,7S)-tricyclo[5.2.1.02,6]decane-2-carboxylate
CID 157342
4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aalpha,4alpha,7alpha,7aalpha)-
CID 157343
Calcium bicyclo(2.2.1)heptane-2,3-dicarboxylate
CID 21981350
Methyl 3-oxobicyclo[2.2.1]heptane-2-carboxylate
CID 12481515
Methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 575405
2-Methylbicyclo[2.2.1]heptane-2-carboxylic acid methyl ester
CID 524298
Methyl 6-oxobicyclo(2.2.1)heptane-2-carboxylate
CID 12268689

Frequently Asked Questions

What is the IUPAC name of Methyl 2-norbornanecarboxylate?
The IUPAC name of Methyl 2-norbornanecarboxylate (CID 261531) is methyl bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for Methyl 2-norbornanecarboxylate?
The canonical SMILES for Methyl 2-norbornanecarboxylate is COC(=O)C1CC2CCC1C2.
What is the InChIKey of Methyl 2-norbornanecarboxylate?
The InChIKey is BWGIKEUGPCOETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-11-9(10)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3.
What are the key properties of Methyl 2-norbornanecarboxylate?
Methyl 2-norbornanecarboxylate has a molecular weight of 154.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-norbornanecarboxylate is sourced from PubChem (CID 261531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).