(4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene

C12H19NO2 — CID 174364713

IUPAC(4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene
SMILESCC=C/C(N=O)=C(\C=C\CC)OCCC
InChIInChI=1S/C12H19NO2/c1-4-7-9-12(15-10-6-3)11(13-14)8-5-2/h5,7-9H,4,6,10H2,1-3H3/b8-5?,9-7+,12-11-
InChIKeyJAVMMBRUPGTJOM-JOQNBTNQSA-N
MW209.29 g/mol
LogP3.93
Rot. Bonds7

About (4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene

(4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene (PubChem CID 174364713) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene.

Molecular Properties

Compound Name(4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene
PubChem CID174364713
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene
SMILESCC=C/C(N=O)=C(\C=C\CC)OCCC
InChIInChI=1S/C12H19NO2/c1-4-7-9-12(15-10-6-3)11(13-14)8-5-2/h5,7-9H,4,6,10H2,1-3H3/b8-5?,9-7+,12-11-
InChIKeyJAVMMBRUPGTJOM-JOQNBTNQSA-N
XLogP3.93
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.93
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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Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene?
The IUPAC name of (4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene (CID 174364713) is (4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene.
What is the SMILES notation for (4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene?
The canonical SMILES for (4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene is CC=C/C(N=O)=C(\C=C\CC)OCCC.
What is the InChIKey of (4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene?
The InChIKey is JAVMMBRUPGTJOM-JOQNBTNQSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-7-9-12(15-10-6-3)11(13-14)8-5-2/h5,7-9H,4,6,10H2,1-3H3/b8-5?,9-7+,12-11-.
What are the key properties of (4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene?
(4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene has a molecular weight of 209.29 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-4-nitroso-5-propoxynona-2,4,6-triene is sourced from PubChem (CID 174364713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).