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

C7H7NO3 — CID 14566026

IUPAC3-[(E)-2-nitroprop-1-enyl]furan
SMILESC/C(=C\c1ccoc1)[N+](=O)[O-]
InChIInChI=1S/C7H7NO3/c1-6(8(9)10)4-7-2-3-11-5-7/h2-5H,1H3/b6-4+
InChIKeyQBIBUTJSWOIVCP-GQCTYLIASA-N
MW153.14 g/mol
LogP1.92
Rot. Bonds2

About 3-[(E)-2-nitroprop-1-enyl]furan

3-[(E)-2-nitroprop-1-enyl]furan (PubChem CID 14566026) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-[(E)-2-nitroprop-1-enyl]furan.

Molecular Properties

Compound Name3-[(E)-2-nitroprop-1-enyl]furan
PubChem CID14566026
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name3-[(E)-2-nitroprop-1-enyl]furan
SMILESC/C(=C\c1ccoc1)[N+](=O)[O-]
InChIInChI=1S/C7H7NO3/c1-6(8(9)10)4-7-2-3-11-5-7/h2-5H,1H3/b6-4+
InChIKeyQBIBUTJSWOIVCP-GQCTYLIASA-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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Related Compounds

2-[(1Z)-2-nitroprop-1-en-1-yl]furan
CID 6434142
2-(2-Nitroprop-1-en-1-yl)furan
CID 6138838
2-(2-Nitro-1-propen-1-yl)furan
CID 36409
Furan, 3-(2-nitroethenyl)-
CID 54515481
3-(B-Nitrovinyl)furan
CID 10975565
(E)-3-(furan-3-yl)-2-nitroprop-2-en-1-ol
CID 24879765
3-(Furan-3-yl)-2-nitroprop-2-en-1-ol
CID 68854105
3-(1-Nitroethenyl)furan
CID 88367618
3-[(E)-2-nitrosoethenyl]furan
CID 89295509
(E)-3-(furan-3-yl)-2-nitroprop-2-enoic acid
CID 135364651
Methyl 3-(furan-3-yl)-2-nitroprop-2-enoate
CID 141142868
ethyl (E)-3-(furan-3-yl)-2-nitroprop-2-enoate
CID 142461568

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-nitroprop-1-enyl]furan?
The IUPAC name of 3-[(E)-2-nitroprop-1-enyl]furan (CID 14566026) is 3-[(E)-2-nitroprop-1-enyl]furan.
What is the SMILES notation for 3-[(E)-2-nitroprop-1-enyl]furan?
The canonical SMILES for 3-[(E)-2-nitroprop-1-enyl]furan is C/C(=C\c1ccoc1)[N+](=O)[O-].
What is the InChIKey of 3-[(E)-2-nitroprop-1-enyl]furan?
The InChIKey is QBIBUTJSWOIVCP-GQCTYLIASA-N. The full InChI is InChI=1S/C7H7NO3/c1-6(8(9)10)4-7-2-3-11-5-7/h2-5H,1H3/b6-4+.
What are the key properties of 3-[(E)-2-nitroprop-1-enyl]furan?
3-[(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 3-[(E)-2-nitroprop-1-enyl]furan is sourced from PubChem (CID 14566026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).