(3Z,5E)-5-nitronona-3,5-diene

C9H15NO2 — CID 163823768

IUPAC(3Z,5E)-5-nitronona-3,5-diene
SMILESCC/C=C\C(=C/CCC)[N+](=O)[O-]
InChIInChI=1S/C9H15NO2/c1-3-5-7-9(10(11)12)8-6-4-2/h5,7-8H,3-4,6H2,1-2H3/b7-5-,9-8+
InChIKeyNXRJPTFOMGCXET-SUHGFZJFSA-N
MW169.22 g/mol
LogP2.91
Rot. Bonds5

About (3Z,5E)-5-nitronona-3,5-diene

(3Z,5E)-5-nitronona-3,5-diene (PubChem CID 163823768) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (3Z,5E)-5-nitronona-3,5-diene.

Molecular Properties

Compound Name(3Z,5E)-5-nitronona-3,5-diene
PubChem CID163823768
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(3Z,5E)-5-nitronona-3,5-diene
SMILESCC/C=C\C(=C/CCC)[N+](=O)[O-]
InChIInChI=1S/C9H15NO2/c1-3-5-7-9(10(11)12)8-6-4-2/h5,7-8H,3-4,6H2,1-2H3/b7-5-,9-8+
InChIKeyNXRJPTFOMGCXET-SUHGFZJFSA-N
XLogP2.91
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-nitronona-3,5-diene?
The IUPAC name of (3Z,5E)-5-nitronona-3,5-diene (CID 163823768) is (3Z,5E)-5-nitronona-3,5-diene.
What is the SMILES notation for (3Z,5E)-5-nitronona-3,5-diene?
The canonical SMILES for (3Z,5E)-5-nitronona-3,5-diene is CC/C=C\C(=C/CCC)[N+](=O)[O-].
What is the InChIKey of (3Z,5E)-5-nitronona-3,5-diene?
The InChIKey is NXRJPTFOMGCXET-SUHGFZJFSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-5-7-9(10(11)12)8-6-4-2/h5,7-8H,3-4,6H2,1-2H3/b7-5-,9-8+.
What are the key properties of (3Z,5E)-5-nitronona-3,5-diene?
(3Z,5E)-5-nitronona-3,5-diene has a molecular weight of 169.22 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-nitronona-3,5-diene is sourced from PubChem (CID 163823768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).