(4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde

C8H10O — CID 118065983

IUPAC(4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
SMILESO=CC1C[C@@H]2C=CC1C2
InChIInChI=1S/C8H10O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2/t6-,7?,8?/m1/s1
InChIKeyAJIBZRIAUXVGQJ-JECWYVHBSA-N
MW122.17 g/mol
LogP1.40
Rot. Bonds1

About (4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde

(4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde (PubChem CID 118065983) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde.

Molecular Properties

Compound Name(4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
PubChem CID118065983
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
SMILESO=CC1C[C@@H]2C=CC1C2
InChIInChI=1S/C8H10O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2/t6-,7?,8?/m1/s1
InChIKeyAJIBZRIAUXVGQJ-JECWYVHBSA-N
XLogP1.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The IUPAC name of (4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde (CID 118065983) is (4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde.
What is the SMILES notation for (4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The canonical SMILES for (4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde is O=CC1C[C@@H]2C=CC1C2.
What is the InChIKey of (4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The InChIKey is AJIBZRIAUXVGQJ-JECWYVHBSA-N. The full InChI is InChI=1S/C8H10O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2/t6-,7?,8?/m1/s1.
What are the key properties of (4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
(4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde has a molecular weight of 122.17 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde is sourced from PubChem (CID 118065983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).