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

C7H7NO3 — CID 6138838

IUPAC2-[(E)-2-nitroprop-1-enyl]furan
SMILESC/C(=C\c1ccco1)[N+](=O)[O-]
InChIInChI=1S/C7H7NO3/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5+
InChIKeyZJQJRPWHHXBVQO-AATRIKPKSA-N
MW153.14 g/mol
LogP1.92
Rot. Bonds2

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

2-[(E)-2-nitroprop-1-enyl]furan (PubChem CID 6138838) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-[(E)-2-nitroprop-1-enyl]furan.

Molecular Properties

Compound Name2-[(E)-2-nitroprop-1-enyl]furan
PubChem CID6138838
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name2-[(E)-2-nitroprop-1-enyl]furan
SMILESC/C(=C\c1ccco1)[N+](=O)[O-]
InChIInChI=1S/C7H7NO3/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5+
InChIKeyZJQJRPWHHXBVQO-AATRIKPKSA-N
XLogP1.92
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.92
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-nitroprop-1-enyl]furan?
The IUPAC name of 2-[(E)-2-nitroprop-1-enyl]furan (CID 6138838) is 2-[(E)-2-nitroprop-1-enyl]furan.
What is the SMILES notation for 2-[(E)-2-nitroprop-1-enyl]furan?
The canonical SMILES for 2-[(E)-2-nitroprop-1-enyl]furan is C/C(=C\c1ccco1)[N+](=O)[O-].
What is the InChIKey of 2-[(E)-2-nitroprop-1-enyl]furan?
The InChIKey is ZJQJRPWHHXBVQO-AATRIKPKSA-N. The full InChI is InChI=1S/C7H7NO3/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5+.
What are the key properties of 2-[(E)-2-nitroprop-1-enyl]furan?
2-[(E)-2-nitroprop-1-enyl]furan has a molecular weight of 153.14 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-nitroprop-1-enyl]furan is sourced from PubChem (CID 6138838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).