2-isocyano-5-propan-2-ylfuran

C8H9NO — CID 59276684

IUPAC2-isocyano-5-propan-2-ylfuran
SMILES[C-]#[N+]c1ccc(C(C)C)o1
InChIInChI=1S/C8H9NO/c1-6(2)7-4-5-8(9-3)10-7/h4-6H,1-2H3
InChIKeyFKPHLBHHNOLIRJ-UHFFFAOYSA-N
MW135.17 g/mol
LogP2.95
Rot. Bonds1

About 2-isocyano-5-propan-2-ylfuran

2-isocyano-5-propan-2-ylfuran (PubChem CID 59276684) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-isocyano-5-propan-2-ylfuran.

Molecular Properties

Compound Name2-isocyano-5-propan-2-ylfuran
PubChem CID59276684
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-isocyano-5-propan-2-ylfuran
SMILES[C-]#[N+]c1ccc(C(C)C)o1
InChIInChI=1S/C8H9NO/c1-6(2)7-4-5-8(9-3)10-7/h4-6H,1-2H3
InChIKeyFKPHLBHHNOLIRJ-UHFFFAOYSA-N
XLogP2.95
TPSA17.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[3-(5-Amino-4-cyano-2-furyl)-2-butenylidene]malononitrile
CID 5452265
2-Vinyl 5-amino furan
CID 89260072
5-(2-Methylpropyl)furan-2-amine
CID 129974929
2-(Difluoromethyl)-5-isocyanofuran
CID 59276722
Nifuratel Impurity 37
CID 2487506
2-Cyclopropyl-5-nitrofuran
CID 13115536
5-Phenyl-2-amino-methylfuran
CID 129784690
5-(2,2,2-Trifluoroethyl)furan-2-amine
CID 98769910
5-(2-Fluoropropan-2-yl)furan-2-amine
CID 119054568
2-[3-(5-Amino-4-cyanofuran-2-yl)but-2-enylidene]propanedinitrile
CID 1201703
2-(5-Amino-furan-2-ylmethylene)-malononitrile
CID 12621721
1-(5-Azidofuran-2-yl)-2-methylpropan-1-one
CID 12659819

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-5-propan-2-ylfuran?
The IUPAC name of 2-isocyano-5-propan-2-ylfuran (CID 59276684) is 2-isocyano-5-propan-2-ylfuran.
What is the SMILES notation for 2-isocyano-5-propan-2-ylfuran?
The canonical SMILES for 2-isocyano-5-propan-2-ylfuran is [C-]#[N+]c1ccc(C(C)C)o1.
What is the InChIKey of 2-isocyano-5-propan-2-ylfuran?
The InChIKey is FKPHLBHHNOLIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6(2)7-4-5-8(9-3)10-7/h4-6H,1-2H3.
What are the key properties of 2-isocyano-5-propan-2-ylfuran?
2-isocyano-5-propan-2-ylfuran has a molecular weight of 135.17 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-5-propan-2-ylfuran is sourced from PubChem (CID 59276684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).