2-methyl-5-(2-nitroethenyl)furan

C7H7NO3 — CID 538006

IUPAC2-methyl-5-(2-nitroethenyl)furan
SMILESCc1ccc(C=C[N+](=O)[O-])o1
InChIInChI=1S/C7H7NO3/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3
InChIKeyYUGJJOVWZWUBQX-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.84
Rot. Bonds2

About 2-methyl-5-(2-nitroethenyl)furan

2-methyl-5-(2-nitroethenyl)furan (PubChem CID 538006) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-methyl-5-(2-nitroethenyl)furan.

Molecular Properties

Compound Name2-methyl-5-(2-nitroethenyl)furan
PubChem CID538006
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name2-methyl-5-(2-nitroethenyl)furan
SMILESCc1ccc(C=C[N+](=O)[O-])o1
InChIInChI=1S/C7H7NO3/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3
InChIKeyYUGJJOVWZWUBQX-UHFFFAOYSA-N
XLogP1.84
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
2-nitro-5-[(Z)-2-nitroethenyl]furan
CID 23273708
2-[5-[(E)-2-nitroethenyl]furan-2-yl]acetonitrile
CID 118903089
2-methyl-5-[(Z)-prop-1-enyl]furan
CID 20837793
2-(2-bromo-4-methylphenyl)-5-(2-nitroethenyl)furan
CID 898866
2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
CID 124662764
5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde
CID 71371005
2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]furan
CID 115347684
2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
CID 40567403
3-methyl-5-[(E)-2-nitroethenyl]-1,2-oxazole
CID 130586136
2-[5-(2-nitroethenyl)furan-2-yl]benzoic acid
CID 3152518
chloromethane;5-methylfuran-2-carbaldehyde
CID 144843774

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-nitroethenyl)furan?
The IUPAC name of 2-methyl-5-(2-nitroethenyl)furan (CID 538006) is 2-methyl-5-(2-nitroethenyl)furan.
What is the SMILES notation for 2-methyl-5-(2-nitroethenyl)furan?
The canonical SMILES for 2-methyl-5-(2-nitroethenyl)furan is Cc1ccc(C=C[N+](=O)[O-])o1.
What is the InChIKey of 2-methyl-5-(2-nitroethenyl)furan?
The InChIKey is YUGJJOVWZWUBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3.
What are the key properties of 2-methyl-5-(2-nitroethenyl)furan?
2-methyl-5-(2-nitroethenyl)furan has a molecular weight of 153.14 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-nitroethenyl)furan is sourced from PubChem (CID 538006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).