7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C15H19N — CID 70142085

IUPAC7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESC/C=C/c1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C15H19N/c1-2-5-12-10-13-6-3-8-16-9-4-7-14(11-12)15(13)16/h2,5,10-11H,3-4,6-9H2,1H3/b5-2+
InChIKeyMUCMZEYCRUGWQF-GORDUTHDSA-N
MW213.32 g/mol
LogP3.42
Rot. Bonds1

About 7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 70142085) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID70142085
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESC/C=C/c1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C15H19N/c1-2-5-12-10-13-6-3-8-16-9-4-7-14(11-12)15(13)16/h2,5,10-11H,3-4,6-9H2,1H3/b5-2+
InChIKeyMUCMZEYCRUGWQF-GORDUTHDSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 70142085) is 7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is C/C=C/c1cc2c3c(c1)CCCN3CCC2.
What is the InChIKey of 7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is MUCMZEYCRUGWQF-GORDUTHDSA-N. The full InChI is InChI=1S/C15H19N/c1-2-5-12-10-13-6-3-8-16-9-4-7-14(11-12)15(13)16/h2,5,10-11H,3-4,6-9H2,1H3/b5-2+.
What are the key properties of 7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 213.32 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 70142085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).