7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene

C10H16 — CID 57246004

IUPAC7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene
SMILESCCC1=C2CCC1C(C)C2
InChIInChI=1S/C10H16/c1-3-9-8-4-5-10(9)7(2)6-8/h7,10H,3-6H2,1-2H3
InChIKeyNTWUERXAZRMXHP-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds1

About 7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene

7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene (PubChem CID 57246004) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene.

Molecular Properties

Compound Name7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene
PubChem CID57246004
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene
SMILESCCC1=C2CCC1C(C)C2
InChIInChI=1S/C10H16/c1-3-9-8-4-5-10(9)7(2)6-8/h7,10H,3-6H2,1-2H3
InChIKeyNTWUERXAZRMXHP-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.14
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 7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene?
The IUPAC name of 7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene (CID 57246004) is 7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene.
What is the SMILES notation for 7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene?
The canonical SMILES for 7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene is CCC1=C2CCC1C(C)C2.
What is the InChIKey of 7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene?
The InChIKey is NTWUERXAZRMXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-3-9-8-4-5-10(9)7(2)6-8/h7,10H,3-6H2,1-2H3.
What are the key properties of 7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene?
7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene has a molecular weight of 136.24 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methylbicyclo[2.2.1]hept-1(7)-ene is sourced from PubChem (CID 57246004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).