2-[(E)-2-nitrohex-1-enyl]furan

C10H13NO3 — CID 13443059

IUPAC2-[(E)-2-nitrohex-1-enyl]furan
SMILESCCCC/C(=C\c1ccco1)[N+](=O)[O-]
InChIInChI=1S/C10H13NO3/c1-2-3-5-9(11(12)13)8-10-6-4-7-14-10/h4,6-8H,2-3,5H2,1H3/b9-8+
InChIKeyWGOPMSJPPIEMPB-CMDGGOBGSA-N
MW195.22 g/mol
LogP3.09
Rot. Bonds5

About 2-[(E)-2-nitrohex-1-enyl]furan

2-[(E)-2-nitrohex-1-enyl]furan (PubChem CID 13443059) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(E)-2-nitrohex-1-enyl]furan.

Molecular Properties

Compound Name2-[(E)-2-nitrohex-1-enyl]furan
PubChem CID13443059
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-[(E)-2-nitrohex-1-enyl]furan
SMILESCCCC/C(=C\c1ccco1)[N+](=O)[O-]
InChIInChI=1S/C10H13NO3/c1-2-3-5-9(11(12)13)8-10-6-4-7-14-10/h4,6-8H,2-3,5H2,1H3/b9-8+
InChIKeyWGOPMSJPPIEMPB-CMDGGOBGSA-N
XLogP3.09
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-nitrohex-1-enyl]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-nitrohex-1-enyl]furan?
The IUPAC name of 2-[(E)-2-nitrohex-1-enyl]furan (CID 13443059) is 2-[(E)-2-nitrohex-1-enyl]furan.
What is the SMILES notation for 2-[(E)-2-nitrohex-1-enyl]furan?
The canonical SMILES for 2-[(E)-2-nitrohex-1-enyl]furan is CCCC/C(=C\c1ccco1)[N+](=O)[O-].
What is the InChIKey of 2-[(E)-2-nitrohex-1-enyl]furan?
The InChIKey is WGOPMSJPPIEMPB-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-3-5-9(11(12)13)8-10-6-4-7-14-10/h4,6-8H,2-3,5H2,1H3/b9-8+.
What are the key properties of 2-[(E)-2-nitrohex-1-enyl]furan?
2-[(E)-2-nitrohex-1-enyl]furan has a molecular weight of 195.22 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-nitrohex-1-enyl]furan is sourced from PubChem (CID 13443059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).