(6Z)-2,3,4,5-tetrahydroazocine

C7H11N — CID 22238061

IUPAC(6Z)-2,3,4,5-tetrahydroazocine
SMILESC1=C\CCCC\N=C/1
InChIInChI=1S/C7H11N/c1-2-4-6-8-7-5-3-1/h2,4,6H,1,3,5,7H2/b4-2-,8-6-
InChIKeyFNKVFSWAFADSPG-ZCWSXEOGSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds

About (6Z)-2,3,4,5-tetrahydroazocine

(6Z)-2,3,4,5-tetrahydroazocine (PubChem CID 22238061) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (6Z)-2,3,4,5-tetrahydroazocine.

Molecular Properties

Compound Name(6Z)-2,3,4,5-tetrahydroazocine
PubChem CID22238061
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(6Z)-2,3,4,5-tetrahydroazocine
SMILESC1=C\CCCC\N=C/1
InChIInChI=1S/C7H11N/c1-2-4-6-8-7-5-3-1/h2,4,6H,1,3,5,7H2/b4-2-,8-6-
InChIKeyFNKVFSWAFADSPG-ZCWSXEOGSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Azacycloheptadiene
CID 18424402
(2Z,6Z)-4,5-dihydroazocine
CID 18424410
2,3,4,5-Tetrahydroazocine
CID 53808541
2,3,4,7-Tetrahydroazocine
CID 57219416
(6Z)-6-deuterio-1-methyl-2,3,4,5-tetrahydroazocin-1-ium
CID 59063404
5-methyl-3,4-dihydro-2H-azepine
CID 68099594
2-methyl-3,4-dihydro-2H-azepine
CID 68099628
(2Z)-4,5-dihydroazocine
CID 69985738
4,5-Dihydroazocine
CID 69985740
1-Azacyclododeca-10,12-diene
CID 70542619
2,3,6,7-Tetrahydroazocine
CID 90855365
3,4,5,6-tetrahydro-2H-azonine
CID 91238205

Frequently Asked Questions

What is the IUPAC name of (6Z)-2,3,4,5-tetrahydroazocine?
The IUPAC name of (6Z)-2,3,4,5-tetrahydroazocine (CID 22238061) is (6Z)-2,3,4,5-tetrahydroazocine.
What is the SMILES notation for (6Z)-2,3,4,5-tetrahydroazocine?
The canonical SMILES for (6Z)-2,3,4,5-tetrahydroazocine is C1=C\CCCC\N=C/1.
What is the InChIKey of (6Z)-2,3,4,5-tetrahydroazocine?
The InChIKey is FNKVFSWAFADSPG-ZCWSXEOGSA-N. The full InChI is InChI=1S/C7H11N/c1-2-4-6-8-7-5-3-1/h2,4,6H,1,3,5,7H2/b4-2-,8-6-.
What are the key properties of (6Z)-2,3,4,5-tetrahydroazocine?
(6Z)-2,3,4,5-tetrahydroazocine has a molecular weight of 109.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,3,4,5-tetrahydroazocine is sourced from PubChem (CID 22238061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).