(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione

C17H15N3O5 — CID 126243676

IUPAC(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O
InChIInChI=1S/C17H15N3O5/c1-2-9-19-16(21)13(18-17(19)22)10-11-7-8-15(25-11)12-5-3-4-6-14(12)20(23)24/h3-8,10H,2,9H2,1H3,(H,18,22)/b13-10-
InChIKeyWZPXQZNFEBEIFH-RAXLEYEMSA-N
MW341.32 g/mol
LogP3.16
Rot. Bonds5

About (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione

(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione (PubChem CID 126243676) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
PubChem CID126243676
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O
InChIInChI=1S/C17H15N3O5/c1-2-9-19-16(21)13(18-17(19)22)10-11-7-8-15(25-11)12-5-3-4-6-14(12)20(23)24/h3-8,10H,2,9H2,1H3,(H,18,22)/b13-10-
InChIKeyWZPXQZNFEBEIFH-RAXLEYEMSA-N
XLogP3.16
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

(5Z)-3-ethyl-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 126243794
(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126241446
N-(3-methylphenyl)-2-[(4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126113515
5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 3096631
(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 34258040
(5Z)-3-ethyl-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2145944
(5Z)-3-(2-fluorophenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 24510248
(5Z)-1-(furan-2-ylmethyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 124549322
(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2170125
4-chloro-3-[5-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
CID 7341547
(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126239214
3-(2-methoxyethyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2874969

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione (CID 126243676) is (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O.
What is the InChIKey of (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione?
The InChIKey is WZPXQZNFEBEIFH-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-2-9-19-16(21)13(18-17(19)22)10-11-7-8-15(25-11)12-5-3-4-6-14(12)20(23)24/h3-8,10H,2,9H2,1H3,(H,18,22)/b13-10-.
What are the key properties of (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione?
(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione has a molecular weight of 341.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 126243676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).