3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol

C18H19N3O4 — CID 91111495

IUPAC3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol
SMILESCC/C(=N\c1c(Nc2ccccc2O)c(O)n(C)c1O)c1ccco1
InChIInChI=1S/C18H19N3O4/c1-3-11(14-9-6-10-25-14)19-15-16(18(24)21(2)17(15)23)20-12-7-4-5-8-13(12)22/h4-10,20,22-24H,3H2,1-2H3/b19-11+
InChIKeyWPXMYBWRDLIQPC-YBFXNURJSA-N
MW341.37 g/mol
LogP4.01
Rot. Bonds5

About 3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol

3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol (PubChem CID 91111495) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol.

Molecular Properties

Compound Name3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol
PubChem CID91111495
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol
SMILESCC/C(=N\c1c(Nc2ccccc2O)c(O)n(C)c1O)c1ccco1
InChIInChI=1S/C18H19N3O4/c1-3-11(14-9-6-10-25-14)19-15-16(18(24)21(2)17(15)23)20-12-7-4-5-8-13(12)22/h4-10,20,22-24H,3H2,1-2H3/b19-11+
InChIKeyWPXMYBWRDLIQPC-YBFXNURJSA-N
XLogP4.01
TPSA103.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-benzyl-4-[1-(furan-2-yl)propylideneamino]-2,5-dihydroxypyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 91340628
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-methylaniline
CID 9014700
3-(furan-2-yl)pent-2-enenitrile
CID 71383305
ethane;(E)-3-(furan-2-yl)pent-2-enenitrile
CID 159560899
(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
CID 55250666
[2-(propanoylamino)phenyl] furan-2-carboxylate
CID 23010896
N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide
CID 6272309
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
ethyl N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-(furan-2-carbonyl)carbamimidothioate
CID 135952621
N-(3-hydroxy-2-methylphenyl)furan-2-carboxamide
CID 64792711

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol?
The IUPAC name of 3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol (CID 91111495) is 3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol.
What is the SMILES notation for 3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol?
The canonical SMILES for 3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol is CC/C(=N\c1c(Nc2ccccc2O)c(O)n(C)c1O)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol?
The InChIKey is WPXMYBWRDLIQPC-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-11(14-9-6-10-25-14)19-15-16(18(24)21(2)17(15)23)20-12-7-4-5-8-13(12)22/h4-10,20,22-24H,3H2,1-2H3/b19-11+.
What are the key properties of 3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol?
3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol has a molecular weight of 341.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)propylideneamino]-4-(2-hydroxyanilino)-1-methylpyrrole-2,5-diol is sourced from PubChem (CID 91111495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).