(3Z,5Z,7Z)-azocine;hydrochloride

C7H8ClN — CID 23216244

IUPAC(3Z,5Z,7Z)-azocine;hydrochloride
SMILESC1=C\C=C/N=C\C=C/1.Cl
InChIInChI=1S/C7H7N.ClH/c1-2-4-6-8-7-5-3-1;/h1-7H;1H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-;
InChIKeyNLLPTDILQWLAJM-JAOZXWOXSA-N
MW141.60 g/mol
LogP2.12
Rot. Bonds

About (3Z,5Z,7Z)-azocine;hydrochloride

(3Z,5Z,7Z)-azocine;hydrochloride (PubChem CID 23216244) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is (3Z,5Z,7Z)-azocine;hydrochloride.

Molecular Properties

Compound Name(3Z,5Z,7Z)-azocine;hydrochloride
PubChem CID23216244
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC Name(3Z,5Z,7Z)-azocine;hydrochloride
SMILESC1=C\C=C/N=C\C=C/1.Cl
InChIInChI=1S/C7H7N.ClH/c1-2-4-6-8-7-5-3-1;/h1-7H;1H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-;
InChIKeyNLLPTDILQWLAJM-JAOZXWOXSA-N
XLogP2.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Azocine
CID 6451481
Lithium pyridin-4-ide
CID 13014695
Potassium pyridin-4-ide
CID 71428983
Pyridin-3-ylmagnesium chloride
CID 11378525
(1E,3Z,5E,7E,9Z,11E,13E,15E,17Z)-1-Azacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12485401
Chlorozinc(1+) pyridin-2-ide
CID 12931150
Chlorozinc(1+) pyridin-3-ide
CID 12931151
CID 53438385
CID 53438385
chlorozinc(1+);4H-pyridin-4-ide
CID 57688419
4H-pyridin-4-ide;yttrium
CID 57725523
Magnesium chloride pyridin-2-ide (1/1/1)
CID 58028202
1-Azacyclohepta-1,3,5,6-tetraene
CID 85965628

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z)-azocine;hydrochloride?
The IUPAC name of (3Z,5Z,7Z)-azocine;hydrochloride (CID 23216244) is (3Z,5Z,7Z)-azocine;hydrochloride.
What is the SMILES notation for (3Z,5Z,7Z)-azocine;hydrochloride?
The canonical SMILES for (3Z,5Z,7Z)-azocine;hydrochloride is C1=C\C=C/N=C\C=C/1.Cl.
What is the InChIKey of (3Z,5Z,7Z)-azocine;hydrochloride?
The InChIKey is NLLPTDILQWLAJM-JAOZXWOXSA-N. The full InChI is InChI=1S/C7H7N.ClH/c1-2-4-6-8-7-5-3-1;/h1-7H;1H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-;.
What are the key properties of (3Z,5Z,7Z)-azocine;hydrochloride?
(3Z,5Z,7Z)-azocine;hydrochloride has a molecular weight of 141.60 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-azocine;hydrochloride is sourced from PubChem (CID 23216244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).