2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate

C8H10NO2- — CID 71899286

IUPAC2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate
SMILESO=C([O-])CN1CC2C=CC1C2
InChIInChI=1S/C8H11NO2/c10-8(11)5-9-4-6-1-2-7(9)3-6/h1-2,6-7H,3-5H2,(H,10,11)/p-1
InChIKeyYKXJWSJTCMNFNW-UHFFFAOYSA-M
MW152.17 g/mol
LogP-1.00
Rot. Bonds2

About 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate

2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate (PubChem CID 71899286) has the molecular formula C8H10NO2- and a molecular weight of 152.17 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate
PubChem CID71899286
Molecular FormulaC8H10NO2-
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate
SMILESO=C([O-])CN1CC2C=CC1C2
InChIInChI=1S/C8H11NO2/c10-8(11)5-9-4-6-1-2-7(9)3-6/h1-2,6-7H,3-5H2,(H,10,11)/p-1
InChIKeyYKXJWSJTCMNFNW-UHFFFAOYSA-M
XLogP-1.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate?
The IUPAC name of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate (CID 71899286) is 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate is O=C([O-])CN1CC2C=CC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate?
The InChIKey is YKXJWSJTCMNFNW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO2/c10-8(11)5-9-4-6-1-2-7(9)3-6/h1-2,6-7H,3-5H2,(H,10,11)/p-1.
What are the key properties of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate?
2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate has a molecular weight of 152.17 g/mol, XLogP of -1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate is sourced from PubChem (CID 71899286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).