3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione

C15H9NO6 — CID 102175566

IUPAC3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione
SMILESO=C1C(=O)C(O)(/C(=C/c2ccco2)[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C15H9NO6/c17-13-10-5-1-2-6-11(10)15(19,14(13)18)12(16(20)21)8-9-4-3-7-22-9/h1-8,19H/b12-8-
InChIKeyOPMOWPWRUGRJDC-WQLSENKSSA-N
MW299.24 g/mol
LogP1.55
Rot. Bonds3

About 3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione

3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione (PubChem CID 102175566) has the molecular formula C15H9NO6 and a molecular weight of 299.24 g/mol. Its IUPAC name is 3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione.

Molecular Properties

Compound Name3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione
PubChem CID102175566
Molecular FormulaC15H9NO6
Molecular Weight299.24 g/mol
Exact Mass299.04
IUPAC Name3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione
SMILESO=C1C(=O)C(O)(/C(=C/c2ccco2)[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C15H9NO6/c17-13-10-5-1-2-6-11(10)15(19,14(13)18)12(16(20)21)8-9-4-3-7-22-9/h1-8,19H/b12-8-
InChIKeyOPMOWPWRUGRJDC-WQLSENKSSA-N
XLogP1.55
TPSA110.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione
CID 102175571
(Z)-3-(furan-2-yl)-2-nitroprop-2-enal
CID 59665521
furan-2-carbaldehyde;nitromethane
CID 23020378
methyl (E)-3-(furan-2-yl)-2-nitroprop-2-enoate
CID 10512117
CID 175710332
CID 175710332
(Z)-2-bromo-3-(furan-2-yl)prop-2-enal
CID 14939228
3,3-dinitro-2-benzofuran-1-one
CID 174737679
2-(furan-2-ylmethylidene)-4-nitrobutanoic acid
CID 175921015
2-(furan-2-ylmethylidene)-1H-indol-3-one
CID 677294
furan-2-carbaldehyde
CID 76972982
(E)-3-(furan-2-yl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 695689
3,5-bis(furan-2-yl)-2,6-bis(furan-2-ylmethylidene)-4-methyl-4-nitrocyclohexan-1-one
CID 68546064

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione?
The IUPAC name of 3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione (CID 102175566) is 3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione.
What is the SMILES notation for 3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione?
The canonical SMILES for 3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione is O=C1C(=O)C(O)(/C(=C/c2ccco2)[N+](=O)[O-])c2ccccc21.
What is the InChIKey of 3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione?
The InChIKey is OPMOWPWRUGRJDC-WQLSENKSSA-N. The full InChI is InChI=1S/C15H9NO6/c17-13-10-5-1-2-6-11(10)15(19,14(13)18)12(16(20)21)8-9-4-3-7-22-9/h1-8,19H/b12-8-.
What are the key properties of 3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione?
3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione has a molecular weight of 299.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione is sourced from PubChem (CID 102175566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).