(1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate

C11H14O3 — CID 70350439

IUPAC(1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate
SMILESC=CCC12C=CC(CC1OC(=O)O)C2
InChIInChI=1S/C11H14O3/c1-2-4-11-5-3-8(7-11)6-9(11)14-10(12)13/h2-3,5,8-9H,1,4,6-7H2,(H,12,13)
InChIKeySVHGSBISIYAQIM-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.59
Rot. Bonds3

About (1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate

(1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate (PubChem CID 70350439) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate.

Molecular Properties

Compound Name(1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate
PubChem CID70350439
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate
SMILESC=CCC12C=CC(CC1OC(=O)O)C2
InChIInChI=1S/C11H14O3/c1-2-4-11-5-3-8(7-11)6-9(11)14-10(12)13/h2-3,5,8-9H,1,4,6-7H2,(H,12,13)
InChIKeySVHGSBISIYAQIM-UHFFFAOYSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate 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 (1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate?
The IUPAC name of (1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate (CID 70350439) is (1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate.
What is the SMILES notation for (1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate?
The canonical SMILES for (1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate is C=CCC12C=CC(CC1OC(=O)O)C2.
What is the InChIKey of (1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate?
The InChIKey is SVHGSBISIYAQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-4-11-5-3-8(7-11)6-9(11)14-10(12)13/h2-3,5,8-9H,1,4,6-7H2,(H,12,13).
What are the key properties of (1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate?
(1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate has a molecular weight of 194.23 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate is sourced from PubChem (CID 70350439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).