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

C8H12O — CID 21122264

IUPAC(1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene
SMILESCO[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C8H12O/c1-9-8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyRCDOWRWNYHNLLA-GJMOJQLCSA-N
MW124.18 g/mol
LogP1.60
Rot. Bonds1

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

(1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene (PubChem CID 21122264) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene
PubChem CID21122264
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene
SMILESCO[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C8H12O/c1-9-8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyRCDOWRWNYHNLLA-GJMOJQLCSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
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 (1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene (CID 21122264) is (1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene is CO[C@@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene?
The InChIKey is RCDOWRWNYHNLLA-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H12O/c1-9-8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of (1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene?
(1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene has a molecular weight of 124.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 21122264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).