(Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile

C15H11N3O3 — CID 162745402

IUPAC(Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile
SMILESCC1=CC(O/C=C(/C#N)n2ncc3ccccc32)OC1=O
InChIInChI=1S/C15H11N3O3/c1-10-6-14(21-15(10)19)20-9-12(7-16)18-13-5-3-2-4-11(13)8-17-18/h2-6,8-9,14H,1H3/b12-9-
InChIKeySXLHWVXOEGWYAV-XFXZXTDPSA-N
MW281.27 g/mol
LogP2.20
Rot. Bonds3

About (Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile

(Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile (PubChem CID 162745402) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is (Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile
PubChem CID162745402
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name(Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile
SMILESCC1=CC(O/C=C(/C#N)n2ncc3ccccc32)OC1=O
InChIInChI=1S/C15H11N3O3/c1-10-6-14(21-15(10)19)20-9-12(7-16)18-13-5-3-2-4-11(13)8-17-18/h2-6,8-9,14H,1H3/b12-9-
InChIKeySXLHWVXOEGWYAV-XFXZXTDPSA-N
XLogP2.20
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile?
The IUPAC name of (Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile (CID 162745402) is (Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile?
The canonical SMILES for (Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile is CC1=CC(O/C=C(/C#N)n2ncc3ccccc32)OC1=O.
What is the InChIKey of (Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile?
The InChIKey is SXLHWVXOEGWYAV-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-10-6-14(21-15(10)19)20-9-12(7-16)18-13-5-3-2-4-11(13)8-17-18/h2-6,8-9,14H,1H3/b12-9-.
What are the key properties of (Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile?
(Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile has a molecular weight of 281.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-indazol-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enenitrile is sourced from PubChem (CID 162745402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).