(Z)-2-(1-nitroethenoxy)but-2-ene

C6H9NO3 — CID 88571009

IUPAC(Z)-2-(1-nitroethenoxy)but-2-ene
SMILESC=C(O/C(C)=C\C)[N+](=O)[O-]
InChIInChI=1S/C6H9NO3/c1-4-5(2)10-6(3)7(8)9/h4H,3H2,1-2H3/b5-4-
InChIKeyPGIZVCMXAWLGLG-PLNGDYQASA-N
MW143.14 g/mol
LogP1.67
Rot. Bonds3

About (Z)-2-(1-nitroethenoxy)but-2-ene

(Z)-2-(1-nitroethenoxy)but-2-ene (PubChem CID 88571009) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (Z)-2-(1-nitroethenoxy)but-2-ene.

Molecular Properties

Compound Name(Z)-2-(1-nitroethenoxy)but-2-ene
PubChem CID88571009
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(Z)-2-(1-nitroethenoxy)but-2-ene
SMILESC=C(O/C(C)=C\C)[N+](=O)[O-]
InChIInChI=1S/C6H9NO3/c1-4-5(2)10-6(3)7(8)9/h4H,3H2,1-2H3/b5-4-
InChIKeyPGIZVCMXAWLGLG-PLNGDYQASA-N
XLogP1.67
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (Z)-2-(1-nitroethenoxy)but-2-ene?
The IUPAC name of (Z)-2-(1-nitroethenoxy)but-2-ene (CID 88571009) is (Z)-2-(1-nitroethenoxy)but-2-ene.
What is the SMILES notation for (Z)-2-(1-nitroethenoxy)but-2-ene?
The canonical SMILES for (Z)-2-(1-nitroethenoxy)but-2-ene is C=C(O/C(C)=C\C)[N+](=O)[O-].
What is the InChIKey of (Z)-2-(1-nitroethenoxy)but-2-ene?
The InChIKey is PGIZVCMXAWLGLG-PLNGDYQASA-N. The full InChI is InChI=1S/C6H9NO3/c1-4-5(2)10-6(3)7(8)9/h4H,3H2,1-2H3/b5-4-.
What are the key properties of (Z)-2-(1-nitroethenoxy)but-2-ene?
(Z)-2-(1-nitroethenoxy)but-2-ene has a molecular weight of 143.14 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-nitroethenoxy)but-2-ene is sourced from PubChem (CID 88571009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).