N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea

C9H13N5O5 — CID 174920742

IUPACN,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
SMILESCN(C)C=O.NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H6N4O4.C3H7NO/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13;1-4(2)3-5/h1-3H,(H3,7,9,11);3H,1-2H3/b8-3+;
InChIKeyZXUKRIDNUSVYGJ-DCDCITSCSA-N
MW271.23 g/mol
LogP-0.11
Rot. Bonds4

About N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea

N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea (PubChem CID 174920742) has the molecular formula C9H13N5O5 and a molecular weight of 271.23 g/mol. Its IUPAC name is N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea.

Molecular Properties

Compound NameN,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
PubChem CID174920742
Molecular FormulaC9H13N5O5
Molecular Weight271.23 g/mol
Exact Mass271.09
IUPAC NameN,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
SMILESCN(C)C=O.NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H6N4O4.C3H7NO/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13;1-4(2)3-5/h1-3H,(H3,7,9,11);3H,1-2H3/b8-3+;
InChIKeyZXUKRIDNUSVYGJ-DCDCITSCSA-N
XLogP-0.11
TPSA144.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
tert-butyl N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6036448
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6433366
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
(E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide
CID 24840585
N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine
CID 2732920
[(Z)-(5-aminofuran-2-yl)methylideneamino]urea
CID 5396872
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide
CID 6444719
1-(4-methylphenyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea
CID 5418895
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide
CID 6875630

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea?
The IUPAC name of N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea (CID 174920742) is N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea.
What is the SMILES notation for N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea?
The canonical SMILES for N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea is CN(C)C=O.NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea?
The InChIKey is ZXUKRIDNUSVYGJ-DCDCITSCSA-N. The full InChI is InChI=1S/C6H6N4O4.C3H7NO/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13;1-4(2)3-5/h1-3H,(H3,7,9,11);3H,1-2H3/b8-3+;.
What are the key properties of N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea?
N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea has a molecular weight of 271.23 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea is sourced from PubChem (CID 174920742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).