1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one

C14H10N4O5 — CID 165340609

IUPAC1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one
SMILESO=C1C(=NN=Cc2ccc([N+](=O)[O-])o2)c2ccccc2N1CO
InChIInChI=1S/C14H10N4O5/c19-8-17-11-4-2-1-3-10(11)13(14(17)20)16-15-7-9-5-6-12(23-9)18(21)22/h1-7,19H,8H2
InChIKeyXVMRHUWATMEJPB-UHFFFAOYSA-N
MW314.26 g/mol
LogP1.31
Rot. Bonds4

About 1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one

1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one (PubChem CID 165340609) has the molecular formula C14H10N4O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one.

Molecular Properties

Compound Name1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one
PubChem CID165340609
Molecular FormulaC14H10N4O5
Molecular Weight314.26 g/mol
Exact Mass314.07
IUPAC Name1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one
SMILESO=C1C(=NN=Cc2ccc([N+](=O)[O-])o2)c2ccccc2N1CO
InChIInChI=1S/C14H10N4O5/c19-8-17-11-4-2-1-3-10(11)13(14(17)20)16-15-7-9-5-6-12(23-9)18(21)22/h1-7,19H,8H2
InChIKeyXVMRHUWATMEJPB-UHFFFAOYSA-N
XLogP1.31
TPSA121.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-(hydroxymethyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 6436103
2-nitro-4-[(Z)-[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)hydrazinylidene]methyl]phenolate
CID 9215978
(Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-(2-nitrophenyl)methanimine
CID 6435289
4-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one
CID 3677423
3-(hydroxymethyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 165343235
2-[2-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135545521
2-[(2E)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135589038
2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135800873
3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 154206915
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylsulfanylacetamide
CID 100801815
3-(hydroxymethyl)-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione;[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid
CID 174806147
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one?
The IUPAC name of 1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one (CID 165340609) is 1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one.
What is the SMILES notation for 1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one?
The canonical SMILES for 1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one is O=C1C(=NN=Cc2ccc([N+](=O)[O-])o2)c2ccccc2N1CO.
What is the InChIKey of 1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one?
The InChIKey is XVMRHUWATMEJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O5/c19-8-17-11-4-2-1-3-10(11)13(14(17)20)16-15-7-9-5-6-12(23-9)18(21)22/h1-7,19H,8H2.
What are the key properties of 1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one?
1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one has a molecular weight of 314.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]indol-2-one is sourced from PubChem (CID 165340609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).