3-(furan-2-yl)-2-nitroprop-2-en-1-ol

C7H7NO4 — CID 53415555

IUPAC3-(furan-2-yl)-2-nitroprop-2-en-1-ol
SMILESO=[N+]([O-])C(=Cc1ccco1)CO
InChIInChI=1S/C7H7NO4/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4,9H,5H2
InChIKeyDFUHMESDUZWXEH-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.89
Rot. Bonds3

About 3-(furan-2-yl)-2-nitroprop-2-en-1-ol

3-(furan-2-yl)-2-nitroprop-2-en-1-ol (PubChem CID 53415555) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-nitroprop-2-en-1-ol.

Molecular Properties

Compound Name3-(furan-2-yl)-2-nitroprop-2-en-1-ol
PubChem CID53415555
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name3-(furan-2-yl)-2-nitroprop-2-en-1-ol
SMILESO=[N+]([O-])C(=Cc1ccco1)CO
InChIInChI=1S/C7H7NO4/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4,9H,5H2
InChIKeyDFUHMESDUZWXEH-UHFFFAOYSA-N
XLogP0.89
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-Nitrovinyl)furan
CID 687331
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
2-(2-Bromo-2-nitroethenyl)furan
CID 14993941
Furan, 2-[(1E)-2-nitroethenyl]-
CID 12781
3-Buten-2-one, 4-(2-furanyl)-3-nitro-
CID 5047304
Furylnitroethylene
CID 19907887
3-(2-furanyl)-2-nitro-2-Propen-1-ol
CID 25257086
1-(2-Furyl)-2-nitropropen-3-one
CID 72351881
Nitrofurylacetylene
CID 129779467
alpha-Nitro-2-furanacrylic acid, methyl ester
CID 92388

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-nitroprop-2-en-1-ol?
The IUPAC name of 3-(furan-2-yl)-2-nitroprop-2-en-1-ol (CID 53415555) is 3-(furan-2-yl)-2-nitroprop-2-en-1-ol.
What is the SMILES notation for 3-(furan-2-yl)-2-nitroprop-2-en-1-ol?
The canonical SMILES for 3-(furan-2-yl)-2-nitroprop-2-en-1-ol is O=[N+]([O-])C(=Cc1ccco1)CO.
What is the InChIKey of 3-(furan-2-yl)-2-nitroprop-2-en-1-ol?
The InChIKey is DFUHMESDUZWXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4,9H,5H2.
What are the key properties of 3-(furan-2-yl)-2-nitroprop-2-en-1-ol?
3-(furan-2-yl)-2-nitroprop-2-en-1-ol has a molecular weight of 169.14 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-nitroprop-2-en-1-ol is sourced from PubChem (CID 53415555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).