(1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene

C8H10 — CID 25021948

IUPAC(1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene
SMILESC=C1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C8H10/c1-6-4-7-2-3-8(6)5-7/h2-3,7-8H,1,4-5H2/t7-,8-/m0/s1
InChIKeyWTQBISBWKRKLIJ-YUMQZZPRSA-N
MW106.17 g/mol
LogP2.14
Rot. Bonds

About (1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene

(1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene (PubChem CID 25021948) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is (1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene
PubChem CID25021948
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name(1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene
SMILESC=C1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C8H10/c1-6-4-7-2-3-8(6)5-7/h2-3,7-8H,1,4-5H2/t7-,8-/m0/s1
InChIKeyWTQBISBWKRKLIJ-YUMQZZPRSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene (CID 25021948) is (1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene is C=C1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene?
The InChIKey is WTQBISBWKRKLIJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H10/c1-6-4-7-2-3-8(6)5-7/h2-3,7-8H,1,4-5H2/t7-,8-/m0/s1.
What are the key properties of (1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene?
(1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene has a molecular weight of 106.17 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-methylidenebicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 25021948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).