1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione

C10H8N4O5 — CID 139947631

IUPAC1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione
SMILESC=CC=NN1C(=O)CN(c2ccc([N+](=O)[O-])o2)C1=O
InChIInChI=1S/C10H8N4O5/c1-2-5-11-13-7(15)6-12(10(13)16)8-3-4-9(19-8)14(17)18/h2-5H,1,6H2
InChIKeyNFIMTWYHSFEGKB-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.13
Rot. Bonds4

About 1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione

1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione (PubChem CID 139947631) has the molecular formula C10H8N4O5 and a molecular weight of 264.20 g/mol. Its IUPAC name is 1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione
PubChem CID139947631
Molecular FormulaC10H8N4O5
Molecular Weight264.20 g/mol
Exact Mass264.05
IUPAC Name1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione
SMILESC=CC=NN1C(=O)CN(c2ccc([N+](=O)[O-])o2)C1=O
InChIInChI=1S/C10H8N4O5/c1-2-5-11-13-7(15)6-12(10(13)16)8-3-4-9(19-8)14(17)18/h2-5H,1,6H2
InChIKeyNFIMTWYHSFEGKB-UHFFFAOYSA-N
XLogP1.13
TPSA109.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', '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

1-(5-nitrofuran-2-yl)piperidine
CID 134976034
1-(5-nitrofuran-2-yl)imidazolidin-2-one
CID 12998976
3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 154206915
1-[(E)-[(Z)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]imidazolidine-2,4-dione
CID 6870645
3-(hydroxymethyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 6436103
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 6604200
(1R,2R,6R,7R,8S,10R)-4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 99720983
2-(1-bromoethenyl)-5-nitrofuran
CID 151316917
2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)
CID 77176029
(1S,2S,6S,7R)-4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 6541522
3-[3-[di(propan-2-yl)amino]propyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 134119051
1-(5-nitrofuran-2-carbonyl)azepan-2-one
CID 18916082

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione?
The IUPAC name of 1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione (CID 139947631) is 1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione?
The canonical SMILES for 1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione is C=CC=NN1C(=O)CN(c2ccc([N+](=O)[O-])o2)C1=O.
What is the InChIKey of 1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione?
The InChIKey is NFIMTWYHSFEGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O5/c1-2-5-11-13-7(15)6-12(10(13)16)8-3-4-9(19-8)14(17)18/h2-5H,1,6H2.
What are the key properties of 1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione?
1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione has a molecular weight of 264.20 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione is sourced from PubChem (CID 139947631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).