2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan

C11H9NO4 — CID 91873040

IUPAC2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
SMILESCc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)o1
InChIInChI=1S/C11H9NO4/c1-8-2-3-9(15-8)4-5-10-6-7-11(16-10)12(13)14/h2-7H,1H3/b5-4+
InChIKeyAUUIWXKJVPNIDR-SNAWJCMRSA-N
MW219.20 g/mol
LogP3.26
Rot. Bonds3

About 2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan

2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan (PubChem CID 91873040) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan.

Molecular Properties

Compound Name2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
PubChem CID91873040
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
SMILESCc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)o1
InChIInChI=1S/C11H9NO4/c1-8-2-3-9(15-8)4-5-10-6-7-11(16-10)12(13)14/h2-7H,1H3/b5-4+
InChIKeyAUUIWXKJVPNIDR-SNAWJCMRSA-N
XLogP3.26
TPSA69.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-nitro-5-[(Z)-2-nitroethenyl]furan
CID 23273708
2-methyl-5-(2-nitroethenyl)furan
CID 538006
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791
2-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyrimidine
CID 121223245
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine
CID 102309944
4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoic acid
CID 6440938
5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine
CID 86023507
4-(5-nitrofuran-2-yl)but-3-en-1-amine
CID 76997154

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan?
The IUPAC name of 2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan (CID 91873040) is 2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan.
What is the SMILES notation for 2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan?
The canonical SMILES for 2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan is Cc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)o1.
What is the InChIKey of 2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan?
The InChIKey is AUUIWXKJVPNIDR-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H9NO4/c1-8-2-3-9(15-8)4-5-10-6-7-11(16-10)12(13)14/h2-7H,1H3/b5-4+.
What are the key properties of 2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan?
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan has a molecular weight of 219.20 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan is sourced from PubChem (CID 91873040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).