5-isocyano-3,6-dihydro-2H-pyran

C6H7NO — CID 123225083

IUPAC5-isocyano-3,6-dihydro-2H-pyran
SMILES[C-]#[N+]C1=CCCOC1
InChIInChI=1S/C6H7NO/c1-7-6-3-2-4-8-5-6/h3H,2,4-5H2
InChIKeyHLCTXQSJZYWPHF-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.21
Rot. Bonds

About 5-isocyano-3,6-dihydro-2H-pyran

5-isocyano-3,6-dihydro-2H-pyran (PubChem CID 123225083) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-isocyano-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name5-isocyano-3,6-dihydro-2H-pyran
PubChem CID123225083
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name5-isocyano-3,6-dihydro-2H-pyran
SMILES[C-]#[N+]C1=CCCOC1
InChIInChI=1S/C6H7NO/c1-7-6-3-2-4-8-5-6/h3H,2,4-5H2
InChIKeyHLCTXQSJZYWPHF-UHFFFAOYSA-N
XLogP1.21
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.21
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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Frequently Asked Questions

What is the IUPAC name of 5-isocyano-3,6-dihydro-2H-pyran?
The IUPAC name of 5-isocyano-3,6-dihydro-2H-pyran (CID 123225083) is 5-isocyano-3,6-dihydro-2H-pyran.
What is the SMILES notation for 5-isocyano-3,6-dihydro-2H-pyran?
The canonical SMILES for 5-isocyano-3,6-dihydro-2H-pyran is [C-]#[N+]C1=CCCOC1.
What is the InChIKey of 5-isocyano-3,6-dihydro-2H-pyran?
The InChIKey is HLCTXQSJZYWPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-7-6-3-2-4-8-5-6/h3H,2,4-5H2.
What are the key properties of 5-isocyano-3,6-dihydro-2H-pyran?
5-isocyano-3,6-dihydro-2H-pyran has a molecular weight of 109.13 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-3,6-dihydro-2H-pyran is sourced from PubChem (CID 123225083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).