(3E,5Z,7Z)-4-methylazocine

C8H9N — CID 145067645

IUPAC(3E,5Z,7Z)-4-methylazocine
SMILESCC1=C/C=N\C=C/C=C\1
InChIInChI=1S/C8H9N/c1-8-4-2-3-6-9-7-5-8/h2-7H,1H3/b3-2-,4-2-,6-3-,7-5-,8-4-,8-5-,9-6-,9-7-
InChIKeyGEAQLIGVWCPSOV-VBTXLXPMSA-N
MW119.17 g/mol
LogP2.09
Rot. Bonds

About (3E,5Z,7Z)-4-methylazocine

(3E,5Z,7Z)-4-methylazocine (PubChem CID 145067645) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is (3E,5Z,7Z)-4-methylazocine.

Molecular Properties

Compound Name(3E,5Z,7Z)-4-methylazocine
PubChem CID145067645
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name(3E,5Z,7Z)-4-methylazocine
SMILESCC1=C/C=N\C=C/C=C\1
InChIInChI=1S/C8H9N/c1-8-4-2-3-6-9-7-5-8/h2-7H,1H3/b3-2-,4-2-,6-3-,7-5-,8-4-,8-5-,9-6-,9-7-
InChIKeyGEAQLIGVWCPSOV-VBTXLXPMSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzazocine
CID 19879720
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
6-[(Z)-3-fluoro-2-methylprop-1-enyl]-5-methyl-4H-azepine
CID 142943295
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855
(Z)-N-[(E)-2-[(3Z,5Z)-3,7-dimethyl-2H-azocin-7-yl]ethenyl]-3-fluoroprop-2-en-1-imine
CID 173711571
1,5-Benzodiazocine
CID 23633143
(1Z,4Z,6Z)-3-benzazocine
CID 23636835
N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]prop-2-enimidoyl fluoride
CID 144401230
(2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine
CID 144769687
3,6-dimethyl-3H-azepine
CID 10103165
N-methylhepta-2,4-dien-1-imine
CID 53832217
CID 54211489
CID 54211489

Frequently Asked Questions

What is the IUPAC name of (3E,5Z,7Z)-4-methylazocine?
The IUPAC name of (3E,5Z,7Z)-4-methylazocine (CID 145067645) is (3E,5Z,7Z)-4-methylazocine.
What is the SMILES notation for (3E,5Z,7Z)-4-methylazocine?
The canonical SMILES for (3E,5Z,7Z)-4-methylazocine is CC1=C/C=N\C=C/C=C\1.
What is the InChIKey of (3E,5Z,7Z)-4-methylazocine?
The InChIKey is GEAQLIGVWCPSOV-VBTXLXPMSA-N. The full InChI is InChI=1S/C8H9N/c1-8-4-2-3-6-9-7-5-8/h2-7H,1H3/b3-2-,4-2-,6-3-,7-5-,8-4-,8-5-,9-6-,9-7-.
What are the key properties of (3E,5Z,7Z)-4-methylazocine?
(3E,5Z,7Z)-4-methylazocine has a molecular weight of 119.17 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,7Z)-4-methylazocine is sourced from PubChem (CID 145067645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).