methyl bicyclo[3.3.1]nonane-1-carboxylate

C11H18O2 — CID 10726123

IUPACmethyl bicyclo[3.3.1]nonane-1-carboxylate
SMILESCOC(=O)C12CCCC(CCC1)C2
InChIInChI=1S/C11H18O2/c1-13-10(12)11-6-2-4-9(8-11)5-3-7-11/h9H,2-8H2,1H3
InChIKeyICVZCNFAMPAKOI-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.52
Rot. Bonds1

About methyl bicyclo[3.3.1]nonane-1-carboxylate

methyl bicyclo[3.3.1]nonane-1-carboxylate (PubChem CID 10726123) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl bicyclo[3.3.1]nonane-1-carboxylate.

Molecular Properties

Compound Namemethyl bicyclo[3.3.1]nonane-1-carboxylate
PubChem CID10726123
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl bicyclo[3.3.1]nonane-1-carboxylate
SMILESCOC(=O)C12CCCC(CCC1)C2
InChIInChI=1S/C11H18O2/c1-13-10(12)11-6-2-4-9(8-11)5-3-7-11/h9H,2-8H2,1H3
InChIKeyICVZCNFAMPAKOI-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl bicyclo[3.3.1]nonane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl bicyclo[3.3.1]nonane-1-carboxylate?
The IUPAC name of methyl bicyclo[3.3.1]nonane-1-carboxylate (CID 10726123) is methyl bicyclo[3.3.1]nonane-1-carboxylate.
What is the SMILES notation for methyl bicyclo[3.3.1]nonane-1-carboxylate?
The canonical SMILES for methyl bicyclo[3.3.1]nonane-1-carboxylate is COC(=O)C12CCCC(CCC1)C2.
What is the InChIKey of methyl bicyclo[3.3.1]nonane-1-carboxylate?
The InChIKey is ICVZCNFAMPAKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-13-10(12)11-6-2-4-9(8-11)5-3-7-11/h9H,2-8H2,1H3.
What are the key properties of methyl bicyclo[3.3.1]nonane-1-carboxylate?
methyl bicyclo[3.3.1]nonane-1-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl bicyclo[3.3.1]nonane-1-carboxylate is sourced from PubChem (CID 10726123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).