2-methyl-5-[(E)-2-nitroethenyl]furan

C7H7NO3 — CID 5363484

IUPAC2-methyl-5-[(E)-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/b5-4+
InChIKeyYUGJJOVWZWUBQX-SNAWJCMRSA-N
MW153.14 g/mol
LogP1.84
Rot. Bonds2

About 2-methyl-5-[(E)-2-nitroethenyl]furan

2-methyl-5-[(E)-2-nitroethenyl]furan (PubChem CID 5363484) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-methyl-5-[(E)-2-nitroethenyl]furan.

Molecular Properties

Compound Name2-methyl-5-[(E)-2-nitroethenyl]furan
PubChem CID5363484
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name2-methyl-5-[(E)-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/b5-4+
InChIKeyYUGJJOVWZWUBQX-SNAWJCMRSA-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(E)-2-nitroethenyl]furan?
The IUPAC name of 2-methyl-5-[(E)-2-nitroethenyl]furan (CID 5363484) is 2-methyl-5-[(E)-2-nitroethenyl]furan.
What is the SMILES notation for 2-methyl-5-[(E)-2-nitroethenyl]furan?
The canonical SMILES for 2-methyl-5-[(E)-2-nitroethenyl]furan is Cc1ccc(/C=C/[N+](=O)[O-])o1.
What is the InChIKey of 2-methyl-5-[(E)-2-nitroethenyl]furan?
The InChIKey is YUGJJOVWZWUBQX-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H7NO3/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3/b5-4+.
What are the key properties of 2-methyl-5-[(E)-2-nitroethenyl]furan?
2-methyl-5-[(E)-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-[(E)-2-nitroethenyl]furan is sourced from PubChem (CID 5363484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).