2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid

C8H8N4O6 — CID 20981860

IUPAC2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
SMILESNC(=O)NNC(=Cc1ccc([N+](=O)[O-])o1)C(=O)O
InChIInChI=1S/C8H8N4O6/c9-8(15)11-10-5(7(13)14)3-4-1-2-6(18-4)12(16)17/h1-3,10H,(H,13,14)(H3,9,11,15)
InChIKeyKJIRJNXXUUMBNC-UHFFFAOYSA-N
MW256.17 g/mol
LogP-0.21
Rot. Bonds5

About 2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid

2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid (PubChem CID 20981860) has the molecular formula C8H8N4O6 and a molecular weight of 256.17 g/mol. Its IUPAC name is 2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
PubChem CID20981860
Molecular FormulaC8H8N4O6
Molecular Weight256.17 g/mol
Exact Mass256.04
IUPAC Name2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
SMILESNC(=O)NNC(=Cc1ccc([N+](=O)[O-])o1)C(=O)O
InChIInChI=1S/C8H8N4O6/c9-8(15)11-10-5(7(13)14)3-4-1-2-6(18-4)12(16)17/h1-3,10H,(H,13,14)(H3,9,11,15)
InChIKeyKJIRJNXXUUMBNC-UHFFFAOYSA-N
XLogP-0.21
TPSA160.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

[(5-nitrofuran-2-yl)amino]urea
CID 175171199
(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
CID 6934520
(E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148599
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
methyl (E)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enoate
CID 20519566
N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide
CID 23424395
2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
CID 79323180
(Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide
CID 6434137
N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 174920742
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
CID 79329289

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid?
The IUPAC name of 2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid (CID 20981860) is 2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid.
What is the SMILES notation for 2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid?
The canonical SMILES for 2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid is NC(=O)NNC(=Cc1ccc([N+](=O)[O-])o1)C(=O)O.
What is the InChIKey of 2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid?
The InChIKey is KJIRJNXXUUMBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O6/c9-8(15)11-10-5(7(13)14)3-4-1-2-6(18-4)12(16)17/h1-3,10H,(H,13,14)(H3,9,11,15).
What are the key properties of 2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid?
2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid has a molecular weight of 256.17 g/mol, XLogP of -0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid is sourced from PubChem (CID 20981860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).