(2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine

C12H16N2 — CID 123887554

IUPAC(2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine
SMILESC1=C(C2=C/CC/C=C/C=N\2)CCNC1
InChIInChI=1S/C12H16N2/c1-2-4-8-14-12(5-3-1)11-6-9-13-10-7-11/h2,4-6,8,13H,1,3,7,9-10H2/b4-2-,12-5-,14-8-
InChIKeyNOQUEIIQAATBRO-RCUWYZOPSA-N
MW188.27 g/mol
LogP2.21
Rot. Bonds1

About (2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine

(2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine (PubChem CID 123887554) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine.

Molecular Properties

Compound Name(2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine
PubChem CID123887554
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine
SMILESC1=C(C2=C/CC/C=C/C=N\2)CCNC1
InChIInChI=1S/C12H16N2/c1-2-4-8-14-12(5-3-1)11-6-9-13-10-7-11/h2,4-6,8,13H,1,3,7,9-10H2/b4-2-,12-5-,14-8-
InChIKeyNOQUEIIQAATBRO-RCUWYZOPSA-N
XLogP2.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium
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CID 88288023
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Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine?
The IUPAC name of (2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine (CID 123887554) is (2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine.
What is the SMILES notation for (2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine?
The canonical SMILES for (2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine is C1=C(C2=C/CC/C=C/C=N\2)CCNC1.
What is the InChIKey of (2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine?
The InChIKey is NOQUEIIQAATBRO-RCUWYZOPSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-4-8-14-12(5-3-1)11-6-9-13-10-7-11/h2,4-6,8,13H,1,3,7,9-10H2/b4-2-,12-5-,14-8-.
What are the key properties of (2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine?
(2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine has a molecular weight of 188.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine is sourced from PubChem (CID 123887554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).