bicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione

C19H24O4 — CID 86759190

IUPACbicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione
SMILESC1=CC2CCC1C2.O=C1C=CC(=O)O1.OCC1CC2C=CC1C2
InChIInChI=1S/C8H12O.C7H10.C4H2O3/c9-5-8-4-6-1-2-7(8)3-6;1-2-7-4-3-6(1)5-7;5-3-1-2-4(6)7-3/h1-2,6-9H,3-5H2;1-2,6-7H,3-5H2;1-2H
InChIKeyMWBZJNXIESTJHE-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.79
Rot. Bonds1

About bicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione

bicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione (PubChem CID 86759190) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione
PubChem CID86759190
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Namebicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione
SMILESC1=CC2CCC1C2.O=C1C=CC(=O)O1.OCC1CC2C=CC1C2
InChIInChI=1S/C8H12O.C7H10.C4H2O3/c9-5-8-4-6-1-2-7(8)3-6;1-2-7-4-3-6(1)5-7;5-3-1-2-4(6)7-3/h1-2,6-9H,3-5H2;1-2,6-7H,3-5H2;1-2H
InChIKeyMWBZJNXIESTJHE-UHFFFAOYSA-N
XLogP2.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze bicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione 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 bicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione?
The IUPAC name of bicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione (CID 86759190) is bicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione is C1=CC2CCC1C2.O=C1C=CC(=O)O1.OCC1CC2C=CC1C2.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione?
The InChIKey is MWBZJNXIESTJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C7H10.C4H2O3/c9-5-8-4-6-1-2-7(8)3-6;1-2-7-4-3-6(1)5-7;5-3-1-2-4(6)7-3/h1-2,6-9H,3-5H2;1-2,6-7H,3-5H2;1-2H.
What are the key properties of bicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione?
bicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione has a molecular weight of 316.40 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-ene;2-bicyclo[2.2.1]hept-5-enylmethanol;furan-2,5-dione is sourced from PubChem (CID 86759190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).