(4E)-1-propyl-1-azacyclonona-4,6,7-triene

C11H17N — CID 163657716

IUPAC(4E)-1-propyl-1-azacyclonona-4,6,7-triene
SMILESCCCN1CC=C=C/C=C\CC1
InChIInChI=1S/C11H17N/c1-2-9-12-10-7-5-3-4-6-8-11-12/h3-5,8H,2,7,9-11H2,1H3/b5-3-
InChIKeyIRRTXQOPGAVOMC-HYXAFXHYSA-N
MW163.26 g/mol
LogP2.37
Rot. Bonds2

About (4E)-1-propyl-1-azacyclonona-4,6,7-triene

(4E)-1-propyl-1-azacyclonona-4,6,7-triene (PubChem CID 163657716) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (4E)-1-propyl-1-azacyclonona-4,6,7-triene.

Molecular Properties

Compound Name(4E)-1-propyl-1-azacyclonona-4,6,7-triene
PubChem CID163657716
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(4E)-1-propyl-1-azacyclonona-4,6,7-triene
SMILESCCCN1CC=C=C/C=C\CC1
InChIInChI=1S/C11H17N/c1-2-9-12-10-7-5-3-4-6-8-11-12/h3-5,8H,2,7,9-11H2,1H3/b5-3-
InChIKeyIRRTXQOPGAVOMC-HYXAFXHYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-1-propyl-1-azacyclonona-4,6,7-triene?
The IUPAC name of (4E)-1-propyl-1-azacyclonona-4,6,7-triene (CID 163657716) is (4E)-1-propyl-1-azacyclonona-4,6,7-triene.
What is the SMILES notation for (4E)-1-propyl-1-azacyclonona-4,6,7-triene?
The canonical SMILES for (4E)-1-propyl-1-azacyclonona-4,6,7-triene is CCCN1CC=C=C/C=C\CC1.
What is the InChIKey of (4E)-1-propyl-1-azacyclonona-4,6,7-triene?
The InChIKey is IRRTXQOPGAVOMC-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-9-12-10-7-5-3-4-6-8-11-12/h3-5,8H,2,7,9-11H2,1H3/b5-3-.
What are the key properties of (4E)-1-propyl-1-azacyclonona-4,6,7-triene?
(4E)-1-propyl-1-azacyclonona-4,6,7-triene has a molecular weight of 163.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-propyl-1-azacyclonona-4,6,7-triene is sourced from PubChem (CID 163657716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).