bicyclo[2.2.1]hept-1-ene;carbonic acid

C8H12O3 — CID 66864121

IUPACbicyclo[2.2.1]hept-1-ene;carbonic acid
SMILESC1=C2CCC(C1)C2.O=C(O)O
InChIInChI=1S/C7H10.CH2O3/c1-2-7-4-3-6(1)5-7;2-1(3)4/h1,7H,2-5H2;(H2,2,3,4)
InChIKeyOGSMELDWKCFMRD-UHFFFAOYSA-N
MW156.18 g/mol
LogP2.34
Rot. Bonds

About bicyclo[2.2.1]hept-1-ene;carbonic acid

bicyclo[2.2.1]hept-1-ene;carbonic acid (PubChem CID 66864121) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-1-ene;carbonic acid.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-1-ene;carbonic acid
PubChem CID66864121
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namebicyclo[2.2.1]hept-1-ene;carbonic acid
SMILESC1=C2CCC(C1)C2.O=C(O)O
InChIInChI=1S/C7H10.CH2O3/c1-2-7-4-3-6(1)5-7;2-1(3)4/h1,7H,2-5H2;(H2,2,3,4)
InChIKeyOGSMELDWKCFMRD-UHFFFAOYSA-N
XLogP2.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-1-ene;carbonic acid?
The IUPAC name of bicyclo[2.2.1]hept-1-ene;carbonic acid (CID 66864121) is bicyclo[2.2.1]hept-1-ene;carbonic acid.
What is the SMILES notation for bicyclo[2.2.1]hept-1-ene;carbonic acid?
The canonical SMILES for bicyclo[2.2.1]hept-1-ene;carbonic acid is C1=C2CCC(C1)C2.O=C(O)O.
What is the InChIKey of bicyclo[2.2.1]hept-1-ene;carbonic acid?
The InChIKey is OGSMELDWKCFMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.CH2O3/c1-2-7-4-3-6(1)5-7;2-1(3)4/h1,7H,2-5H2;(H2,2,3,4).
What are the key properties of bicyclo[2.2.1]hept-1-ene;carbonic acid?
bicyclo[2.2.1]hept-1-ene;carbonic acid has a molecular weight of 156.18 g/mol, XLogP of 2.34, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-1-ene;carbonic acid is sourced from PubChem (CID 66864121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).