4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile

C20H11N3O6 — CID 137094384

IUPAC4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile
SMILESN#Cc1c(N=Cc2cc([N+](=O)[O-])ccc2O)oc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C20H11N3O6/c21-10-14-18(16-3-1-7-27-16)19(17-4-2-8-28-17)29-20(14)22-11-12-9-13(23(25)26)5-6-15(12)24/h1-9,11,24H
InChIKeyRKPVXCSGUZHDRT-UHFFFAOYSA-N
MW389.32 g/mol
LogP5.04
Rot. Bonds5

About 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile

4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile (PubChem CID 137094384) has the molecular formula C20H11N3O6 and a molecular weight of 389.32 g/mol. Its IUPAC name is 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile.

Molecular Properties

Compound Name4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile
PubChem CID137094384
Molecular FormulaC20H11N3O6
Molecular Weight389.32 g/mol
Exact Mass389.06
IUPAC Name4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile
SMILESN#Cc1c(N=Cc2cc([N+](=O)[O-])ccc2O)oc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C20H11N3O6/c21-10-14-18(16-3-1-7-27-16)19(17-4-2-8-28-17)29-20(14)22-11-12-9-13(23(25)26)5-6-15(12)24/h1-9,11,24H
InChIKeyRKPVXCSGUZHDRT-UHFFFAOYSA-N
XLogP5.04
TPSA138.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.32
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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

4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile
CID 1286677
4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile
CID 126384701
2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 137059951
2-[5-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]furan-2-yl]benzoic acid
CID 126385016
2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126389331
ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate
CID 126384129
2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126379631
2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2347116
2-[2-(furan-2-yl)ethyliminomethyl]-4-nitrophenol
CID 135757905
2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 137095660
4,5-bis(furan-2-yl)-2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]furan-3-carbonitrile
CID 10256973
2-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 126122951

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile?
The IUPAC name of 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile (CID 137094384) is 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile.
What is the SMILES notation for 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile?
The canonical SMILES for 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile is N#Cc1c(N=Cc2cc([N+](=O)[O-])ccc2O)oc(-c2ccco2)c1-c1ccco1.
What is the InChIKey of 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile?
The InChIKey is RKPVXCSGUZHDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N3O6/c21-10-14-18(16-3-1-7-27-16)19(17-4-2-8-28-17)29-20(14)22-11-12-9-13(23(25)26)5-6-15(12)24/h1-9,11,24H.
What are the key properties of 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile?
4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile has a molecular weight of 389.32 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile is sourced from PubChem (CID 137094384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).