2-prop-2-enyl-2-azabicyclo[2.2.1]heptane

C9H15N — CID 67863199

IUPAC2-prop-2-enyl-2-azabicyclo[2.2.1]heptane
SMILESC=CCN1CC2CCC1C2
InChIInChI=1S/C9H15N/c1-2-5-10-7-8-3-4-9(10)6-8/h2,8-9H,1,3-7H2
InChIKeyFDSGCFDTDGBDLM-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.66
Rot. Bonds2

About 2-prop-2-enyl-2-azabicyclo[2.2.1]heptane

2-prop-2-enyl-2-azabicyclo[2.2.1]heptane (PubChem CID 67863199) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-prop-2-enyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-prop-2-enyl-2-azabicyclo[2.2.1]heptane
PubChem CID67863199
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-prop-2-enyl-2-azabicyclo[2.2.1]heptane
SMILESC=CCN1CC2CCC1C2
InChIInChI=1S/C9H15N/c1-2-5-10-7-8-3-4-9(10)6-8/h2,8-9H,1,3-7H2
InChIKeyFDSGCFDTDGBDLM-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-prop-2-enyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-prop-2-enyl-2-azabicyclo[2.2.1]heptane (CID 67863199) is 2-prop-2-enyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-prop-2-enyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-prop-2-enyl-2-azabicyclo[2.2.1]heptane is C=CCN1CC2CCC1C2.
What is the InChIKey of 2-prop-2-enyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is FDSGCFDTDGBDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-5-10-7-8-3-4-9(10)6-8/h2,8-9H,1,3-7H2.
What are the key properties of 2-prop-2-enyl-2-azabicyclo[2.2.1]heptane?
2-prop-2-enyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 137.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 67863199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).