3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane

C9H15N — CID 138718018

IUPAC3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane
SMILESC=C(C)C1CC2CC(C1)N2
InChIInChI=1S/C9H15N/c1-6(2)7-3-8-5-9(4-7)10-8/h7-10H,1,3-5H2,2H3
InChIKeyQNMQTAUCNJLSGA-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.70
Rot. Bonds1

About 3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane

3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane (PubChem CID 138718018) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane
PubChem CID138718018
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane
SMILESC=C(C)C1CC2CC(C1)N2
InChIInChI=1S/C9H15N/c1-6(2)7-3-8-5-9(4-7)10-8/h7-10H,1,3-5H2,2H3
InChIKeyQNMQTAUCNJLSGA-UHFFFAOYSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
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-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane (CID 138718018) is 3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane is C=C(C)C1CC2CC(C1)N2.
What is the InChIKey of 3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane?
The InChIKey is QNMQTAUCNJLSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-6(2)7-3-8-5-9(4-7)10-8/h7-10H,1,3-5H2,2H3.
What are the key properties of 3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane?
3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane has a molecular weight of 137.23 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 138718018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).