3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol

C14H11NO4 — CID 135932451

IUPAC3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol
SMILES[H]/N=C(\Cc1ccco1)c1c(O)oc2ccc(O)cc12
InChIInChI=1S/C14H11NO4/c15-11(7-9-2-1-5-18-9)13-10-6-8(16)3-4-12(10)19-14(13)17/h1-6,15-17H,7H2/b15-11+
InChIKeyFFGROTHVINLSIA-RVDMUPIBSA-N
MW257.24 g/mol
LogP3.05
Rot. Bonds3

About 3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol

3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol (PubChem CID 135932451) has the molecular formula C14H11NO4 and a molecular weight of 257.24 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol.

Molecular Properties

Compound Name3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol
PubChem CID135932451
Molecular FormulaC14H11NO4
Molecular Weight257.24 g/mol
Exact Mass257.07
IUPAC Name3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol
SMILES[H]/N=C(\Cc1ccco1)c1c(O)oc2ccc(O)cc12
InChIInChI=1S/C14H11NO4/c15-11(7-9-2-1-5-18-9)13-10-6-8(16)3-4-12(10)19-14(13)17/h1-6,15-17H,7H2/b15-11+
InChIKeyFFGROTHVINLSIA-RVDMUPIBSA-N
XLogP3.05
TPSA90.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-butanimidoyl-1-benzofuran-2-ol
CID 176914526
4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one
CID 8841578
N-(furan-2-ylmethyl)-7-hydroxy-2-iminochromene-3-carboxamide
CID 135630907
4-(furan-2-ylmethyl)phenol
CID 11367276
methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate
CID 705741
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(furan-2-yl)ethanol
CID 105122935
8-aminodibenzofuran-2-ol
CID 22664086
3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 166193246
2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone
CID 102949979
3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide
CID 102668088
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
benzyl 2-(furan-2-yl)acetate
CID 11447250

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol?
The IUPAC name of 3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol (CID 135932451) is 3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol.
What is the SMILES notation for 3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol?
The canonical SMILES for 3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol is [H]/N=C(\Cc1ccco1)c1c(O)oc2ccc(O)cc12.
What is the InChIKey of 3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol?
The InChIKey is FFGROTHVINLSIA-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H11NO4/c15-11(7-9-2-1-5-18-9)13-10-6-8(16)3-4-12(10)19-14(13)17/h1-6,15-17H,7H2/b15-11+.
What are the key properties of 3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol?
3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol has a molecular weight of 257.24 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol is sourced from PubChem (CID 135932451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).