2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde

C9H12O2 — CID 14265536

IUPAC2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde
SMILESCOC1(C=O)CC2C=CC1C2
InChIInChI=1S/C9H12O2/c1-11-9(6-10)5-7-2-3-8(9)4-7/h2-3,6-8H,4-5H2,1H3
InChIKeyQXHQHCOJHRMFJA-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.17
Rot. Bonds2

About 2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde

2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde (PubChem CID 14265536) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde.

Molecular Properties

Compound Name2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde
PubChem CID14265536
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde
SMILESCOC1(C=O)CC2C=CC1C2
InChIInChI=1S/C9H12O2/c1-11-9(6-10)5-7-2-3-8(9)4-7/h2-3,6-8H,4-5H2,1H3
InChIKeyQXHQHCOJHRMFJA-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The IUPAC name of 2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde (CID 14265536) is 2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde.
What is the SMILES notation for 2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The canonical SMILES for 2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde is COC1(C=O)CC2C=CC1C2.
What is the InChIKey of 2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The InChIKey is QXHQHCOJHRMFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-9(6-10)5-7-2-3-8(9)4-7/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde has a molecular weight of 152.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybicyclo[2.2.1]hept-5-ene-2-carbaldehyde is sourced from PubChem (CID 14265536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).