[(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene

C7H12N2O — CID 166783383

IUPAC[(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene
SMILES[H]/N=N/C(=C)/C(=C\CC)OC
InChIInChI=1S/C7H12N2O/c1-4-5-7(10-3)6(2)9-8/h5,8H,2,4H2,1,3H3/b7-5+,9-8+
InChIKeyFYODXVPAHLCMCP-ZIRGRKGMSA-N
MW140.19 g/mol
LogP2.47
Rot. Bonds4

About [(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene

[(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene (PubChem CID 166783383) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is [(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene.

Molecular Properties

Compound Name[(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene
PubChem CID166783383
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name[(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene
SMILES[H]/N=N/C(=C)/C(=C\CC)OC
InChIInChI=1S/C7H12N2O/c1-4-5-7(10-3)6(2)9-8/h5,8H,2,4H2,1,3H3/b7-5+,9-8+
InChIKeyFYODXVPAHLCMCP-ZIRGRKGMSA-N
XLogP2.47
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-methoxyhepta-1,4-dien-3-one
CID 90944896
(2E,4E,6Z)-2-ethenyl-6-methoxy-5-methylnona-2,4,6-trienal
CID 144880965
[(E)-1-methoxyprop-1-enyl]diazene
CID 163432411
(3E)-2-bromo-3-methoxypenta-1,3-diene
CID 147749518
O-methyl N-iminocarbamothioate
CID 141030958
4-methoxy-3-nitrohepta-2,4-diene
CID 91460463
N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine
CID 166783337
N-(2-methylidenebutylidene)methanimidamide
CID 143879593
ethyl 2-methoxybut-2-enoate
CID 141457807
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749
(3E)-4-methoxy-5-methylidenehepta-1,3-diene
CID 169163685
2,4-dimethoxy-5-methylidenehepta-1,3-diene
CID 123258138

Frequently Asked Questions

What is the IUPAC name of [(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene?
The IUPAC name of [(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene (CID 166783383) is [(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene.
What is the SMILES notation for [(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene?
The canonical SMILES for [(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene is [H]/N=N/C(=C)/C(=C\CC)OC.
What is the InChIKey of [(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene?
The InChIKey is FYODXVPAHLCMCP-ZIRGRKGMSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-5-7(10-3)6(2)9-8/h5,8H,2,4H2,1,3H3/b7-5+,9-8+.
What are the key properties of [(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene?
[(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene has a molecular weight of 140.19 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-methoxyhexa-1,3-dien-2-yl]diazene is sourced from PubChem (CID 166783383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).