(E)-5-nitronon-4-ene

C9H17NO2 — CID 5362749

IUPAC(E)-5-nitronon-4-ene
SMILESCCC/C=C(\CCCC)[N+](=O)[O-]
InChIInChI=1S/C9H17NO2/c1-3-5-7-9(10(11)12)8-6-4-2/h7H,3-6,8H2,1-2H3/b9-7+
InChIKeyQTNRZJBKFAASKI-VQHVLOKHSA-N
MW171.24 g/mol
LogP3.14
Rot. Bonds6

About (E)-5-nitronon-4-ene

(E)-5-nitronon-4-ene (PubChem CID 5362749) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (E)-5-nitronon-4-ene.

Molecular Properties

Compound Name(E)-5-nitronon-4-ene
PubChem CID5362749
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(E)-5-nitronon-4-ene
SMILESCCC/C=C(\CCCC)[N+](=O)[O-]
InChIInChI=1S/C9H17NO2/c1-3-5-7-9(10(11)12)8-6-4-2/h7H,3-6,8H2,1-2H3/b9-7+
InChIKeyQTNRZJBKFAASKI-VQHVLOKHSA-N
XLogP3.14
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.14
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-nitronon-4-ene?
The IUPAC name of (E)-5-nitronon-4-ene (CID 5362749) is (E)-5-nitronon-4-ene.
What is the SMILES notation for (E)-5-nitronon-4-ene?
The canonical SMILES for (E)-5-nitronon-4-ene is CCC/C=C(\CCCC)[N+](=O)[O-].
What is the InChIKey of (E)-5-nitronon-4-ene?
The InChIKey is QTNRZJBKFAASKI-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-5-7-9(10(11)12)8-6-4-2/h7H,3-6,8H2,1-2H3/b9-7+.
What are the key properties of (E)-5-nitronon-4-ene?
(E)-5-nitronon-4-ene has a molecular weight of 171.24 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-nitronon-4-ene is sourced from PubChem (CID 5362749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).