(7E)-5-chloro-2,9-dihydro-1H-azonine

C8H10ClN — CID 159898268

IUPAC(7E)-5-chloro-2,9-dihydro-1H-azonine
SMILESClC1=C/C=C/CNCC=C1
InChIInChI=1S/C8H10ClN/c9-8-4-1-2-6-10-7-3-5-8/h1-5,10H,6-7H2/b2-1+,5-3?,8-4?
InChIKeyWOOIRCNCIDZYGO-KQXGCHTHSA-N
MW155.63 g/mol
LogP1.82
Rot. Bonds

About (7E)-5-chloro-2,9-dihydro-1H-azonine

(7E)-5-chloro-2,9-dihydro-1H-azonine (PubChem CID 159898268) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is (7E)-5-chloro-2,9-dihydro-1H-azonine.

Molecular Properties

Compound Name(7E)-5-chloro-2,9-dihydro-1H-azonine
PubChem CID159898268
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name(7E)-5-chloro-2,9-dihydro-1H-azonine
SMILESClC1=C/C=C/CNCC=C1
InChIInChI=1S/C8H10ClN/c9-8-4-1-2-6-10-7-3-5-8/h1-5,10H,6-7H2/b2-1+,5-3?,8-4?
InChIKeyWOOIRCNCIDZYGO-KQXGCHTHSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7E)-5-chloro-2,9-dihydro-1H-azonine?
The IUPAC name of (7E)-5-chloro-2,9-dihydro-1H-azonine (CID 159898268) is (7E)-5-chloro-2,9-dihydro-1H-azonine.
What is the SMILES notation for (7E)-5-chloro-2,9-dihydro-1H-azonine?
The canonical SMILES for (7E)-5-chloro-2,9-dihydro-1H-azonine is ClC1=C/C=C/CNCC=C1.
What is the InChIKey of (7E)-5-chloro-2,9-dihydro-1H-azonine?
The InChIKey is WOOIRCNCIDZYGO-KQXGCHTHSA-N. The full InChI is InChI=1S/C8H10ClN/c9-8-4-1-2-6-10-7-3-5-8/h1-5,10H,6-7H2/b2-1+,5-3?,8-4?.
What are the key properties of (7E)-5-chloro-2,9-dihydro-1H-azonine?
(7E)-5-chloro-2,9-dihydro-1H-azonine has a molecular weight of 155.63 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-5-chloro-2,9-dihydro-1H-azonine is sourced from PubChem (CID 159898268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).