3-methylidene-1-azabicyclo[3.2.0]heptane

C7H11N — CID 164875967

IUPAC3-methylidene-1-azabicyclo[3.2.0]heptane
SMILESC=C1CC2CCN2C1
InChIInChI=1S/C7H11N/c1-6-4-7-2-3-8(7)5-6/h7H,1-5H2
InChIKeyIZKCRNNSBNLSDU-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.02
Rot. Bonds

About 3-methylidene-1-azabicyclo[3.2.0]heptane

3-methylidene-1-azabicyclo[3.2.0]heptane (PubChem CID 164875967) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3-methylidene-1-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3-methylidene-1-azabicyclo[3.2.0]heptane
PubChem CID164875967
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3-methylidene-1-azabicyclo[3.2.0]heptane
SMILESC=C1CC2CCN2C1
InChIInChI=1S/C7H11N/c1-6-4-7-2-3-8(7)5-6/h7H,1-5H2
InChIKeyIZKCRNNSBNLSDU-UHFFFAOYSA-N
XLogP1.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.02
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 3-methylidene-1-azabicyclo[3.2.0]heptane?
The IUPAC name of 3-methylidene-1-azabicyclo[3.2.0]heptane (CID 164875967) is 3-methylidene-1-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 3-methylidene-1-azabicyclo[3.2.0]heptane?
The canonical SMILES for 3-methylidene-1-azabicyclo[3.2.0]heptane is C=C1CC2CCN2C1.
What is the InChIKey of 3-methylidene-1-azabicyclo[3.2.0]heptane?
The InChIKey is IZKCRNNSBNLSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-4-7-2-3-8(7)5-6/h7H,1-5H2.
What are the key properties of 3-methylidene-1-azabicyclo[3.2.0]heptane?
3-methylidene-1-azabicyclo[3.2.0]heptane has a molecular weight of 109.17 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 164875967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).