(2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one

C15H14N2O3 — CID 129452357

IUPAC(2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one
SMILESCCCn1cc(/C=C2\Oc3cc(O)ccc3C2=O)cn1
InChIInChI=1S/C15H14N2O3/c1-2-5-17-9-10(8-16-17)6-14-15(19)12-4-3-11(18)7-13(12)20-14/h3-4,6-9,18H,2,5H2,1H3/b14-6-
InChIKeyWVVBHFHCQIOHEK-NSIKDUERSA-N
MW270.29 g/mol
LogP2.61
Rot. Bonds3

About (2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one

(2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one (PubChem CID 129452357) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one
PubChem CID129452357
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one
SMILESCCCn1cc(/C=C2\Oc3cc(O)ccc3C2=O)cn1
InChIInChI=1S/C15H14N2O3/c1-2-5-17-9-10(8-16-17)6-14-15(19)12-4-3-11(18)7-13(12)20-14/h3-4,6-9,18H,2,5H2,1H3/b14-6-
InChIKeyWVVBHFHCQIOHEK-NSIKDUERSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(2-aminopyrimidin-5-yl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 163286903
6-hydroxy-2-[(3-methoxy-4-propoxyphenyl)methylidene]-1-benzofuran-3-one
CID 54352699
2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 171131608
(2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one
CID 908039
(2Z)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-6-hydroxy-1-benzofuran-3-one
CID 17476607
3-[4-[(6-hydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2-methoxyphenoxy]propanoic acid
CID 91944229
2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 943159
4-[(Z)-(6-hydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2-methoxy-6-nitrophenolate
CID 11984826
2-[[(2Z)-2-[(1-ethyl-5-hydroxyindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetonitrile
CID 139330644
[3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] N,N-diethylcarbamate
CID 947332
4-hydroxy-6-methyl-3-[(E)-3-(1-propylpyrazol-4-yl)prop-2-enoyl]pyran-2-one
CID 135633329
ethyl (2R)-2-[[(2Z)-2-[(4-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate
CID 40917398

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one (CID 129452357) is (2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one is CCCn1cc(/C=C2\Oc3cc(O)ccc3C2=O)cn1.
What is the InChIKey of (2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one?
The InChIKey is WVVBHFHCQIOHEK-NSIKDUERSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-5-17-9-10(8-16-17)6-14-15(19)12-4-3-11(18)7-13(12)20-14/h3-4,6-9,18H,2,5H2,1H3/b14-6-.
What are the key properties of (2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one?
(2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one has a molecular weight of 270.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 129452357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).