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

C9H12O — CID 13483401

IUPAC2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
SMILESCC1(C=O)CC2C=CC1C2
InChIInChI=1S/C9H12O/c1-9(6-10)5-7-2-3-8(9)4-7/h2-3,6-8H,4-5H2,1H3
InChIKeyOEUNHSRWYZGUDW-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.79
Rot. Bonds1

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

2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde (PubChem CID 13483401) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde.

Molecular Properties

Compound Name2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
PubChem CID13483401
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
SMILESCC1(C=O)CC2C=CC1C2
InChIInChI=1S/C9H12O/c1-9(6-10)5-7-2-3-8(9)4-7/h2-3,6-8H,4-5H2,1H3
InChIKeyOEUNHSRWYZGUDW-UHFFFAOYSA-N
XLogP1.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.79
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 2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The IUPAC name of 2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde (CID 13483401) is 2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde.
What is the SMILES notation for 2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The canonical SMILES for 2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde is CC1(C=O)CC2C=CC1C2.
What is the InChIKey of 2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The InChIKey is OEUNHSRWYZGUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-9(6-10)5-7-2-3-8(9)4-7/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde has a molecular weight of 136.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde is sourced from PubChem (CID 13483401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).