6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene

C9H13N — CID 163414218

IUPAC6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene
SMILESC=CCC1CN2C=CCC12
InChIInChI=1S/C9H13N/c1-2-4-8-7-10-6-3-5-9(8)10/h2-3,6,8-9H,1,4-5,7H2
InChIKeyACZZCPUHNYESKN-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.78
Rot. Bonds2

About 6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene

6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene (PubChem CID 163414218) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene.

Molecular Properties

Compound Name6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene
PubChem CID163414218
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene
SMILESC=CCC1CN2C=CCC12
InChIInChI=1S/C9H13N/c1-2-4-8-7-10-6-3-5-9(8)10/h2-3,6,8-9H,1,4-5,7H2
InChIKeyACZZCPUHNYESKN-UHFFFAOYSA-N
XLogP1.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.78
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 6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene?
The IUPAC name of 6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene (CID 163414218) is 6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene.
What is the SMILES notation for 6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene?
The canonical SMILES for 6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene is C=CCC1CN2C=CCC12.
What is the InChIKey of 6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene?
The InChIKey is ACZZCPUHNYESKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-4-8-7-10-6-3-5-9(8)10/h2-3,6,8-9H,1,4-5,7H2.
What are the key properties of 6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene?
6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene has a molecular weight of 135.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene is sourced from PubChem (CID 163414218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).