azane;5-nitrofuran-2-carbaldehyde

C5H6N2O4 — CID 174516774

IUPACazane;5-nitrofuran-2-carbaldehyde
SMILESN.O=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H3NO4.H3N/c7-3-4-1-2-5(10-4)6(8)9;/h1-3H;1H3
InChIKeyMKWLURJBMDRVNN-UHFFFAOYSA-N
MW158.11 g/mol
LogP1.16
Rot. Bonds2

About azane;5-nitrofuran-2-carbaldehyde

azane;5-nitrofuran-2-carbaldehyde (PubChem CID 174516774) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is azane;5-nitrofuran-2-carbaldehyde.

Molecular Properties

Compound Nameazane;5-nitrofuran-2-carbaldehyde
PubChem CID174516774
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Nameazane;5-nitrofuran-2-carbaldehyde
SMILESN.O=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H3NO4.H3N/c7-3-4-1-2-5(10-4)6(8)9;/h1-3H;1H3
InChIKeyMKWLURJBMDRVNN-UHFFFAOYSA-N
XLogP1.16
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

2-nitro-5-[(Z)-2-nitroethenyl]furan
CID 23273708
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine
CID 2732920
4-(5-nitrofuran-2-yl)but-3-en-1-amine
CID 76997154
(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
CID 6934520
4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791
1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine
CID 71404922
4-[(5-nitrofuran-2-yl)methylideneamino]aniline
CID 54597944
(E)-3-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)prop-2-enal
CID 88837432

Frequently Asked Questions

What is the IUPAC name of azane;5-nitrofuran-2-carbaldehyde?
The IUPAC name of azane;5-nitrofuran-2-carbaldehyde (CID 174516774) is azane;5-nitrofuran-2-carbaldehyde.
What is the SMILES notation for azane;5-nitrofuran-2-carbaldehyde?
The canonical SMILES for azane;5-nitrofuran-2-carbaldehyde is N.O=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of azane;5-nitrofuran-2-carbaldehyde?
The InChIKey is MKWLURJBMDRVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO4.H3N/c7-3-4-1-2-5(10-4)6(8)9;/h1-3H;1H3.
What are the key properties of azane;5-nitrofuran-2-carbaldehyde?
azane;5-nitrofuran-2-carbaldehyde has a molecular weight of 158.11 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-nitrofuran-2-carbaldehyde is sourced from PubChem (CID 174516774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).