(1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene

C7H9NO2 — CID 130356457

IUPAC(1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene
SMILESC=C/C=C\C(=C/N=O)OC
InChIInChI=1S/C7H9NO2/c1-3-4-5-7(10-2)6-8-9/h3-6H,1H2,2H3/b5-4-,7-6+
InChIKeyFJZPDFFWUZARAL-SCFJQAPRSA-N
MW139.15 g/mol
LogP1.98
Rot. Bonds4

About (1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene

(1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene (PubChem CID 130356457) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene
PubChem CID130356457
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene
SMILESC=C/C=C\C(=C/N=O)OC
InChIInChI=1S/C7H9NO2/c1-3-4-5-7(10-2)6-8-9/h3-6H,1H2,2H3/b5-4-,7-6+
InChIKeyFJZPDFFWUZARAL-SCFJQAPRSA-N
XLogP1.98
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1Z,3E)-3-butoxy-1-nitrosohexa-1,3,5-triene
CID 89366755
(1Z,3E)-2-methoxy-1-nitrosopenta-1,3-diene
CID 89994318
(1Z,3E)-3-methoxy-1-nitrosohexa-1,3,5-triene
CID 118152226
(1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene
CID 126518289

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene?
The IUPAC name of (1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene (CID 130356457) is (1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene.
What is the SMILES notation for (1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene?
The canonical SMILES for (1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene is C=C/C=C\C(=C/N=O)OC.
What is the InChIKey of (1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene?
The InChIKey is FJZPDFFWUZARAL-SCFJQAPRSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-4-5-7(10-2)6-8-9/h3-6H,1H2,2H3/b5-4-,7-6+.
What are the key properties of (1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene?
(1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene has a molecular weight of 139.15 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-methoxy-1-nitrosohexa-1,3,5-triene is sourced from PubChem (CID 130356457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).