4-methyl-2,3-dihydropyran-4-carbonitrile

C7H9NO — CID 167731866

IUPAC4-methyl-2,3-dihydropyran-4-carbonitrile
SMILESCC1(C#N)C=COCC1
InChIInChI=1S/C7H9NO/c1-7(6-8)2-4-9-5-3-7/h2,4H,3,5H2,1H3
InChIKeyILGUWTVKCRXSBD-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.45
Rot. Bonds

About 4-methyl-2,3-dihydropyran-4-carbonitrile

4-methyl-2,3-dihydropyran-4-carbonitrile (PubChem CID 167731866) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 4-methyl-2,3-dihydropyran-4-carbonitrile.

Molecular Properties

Compound Name4-methyl-2,3-dihydropyran-4-carbonitrile
PubChem CID167731866
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name4-methyl-2,3-dihydropyran-4-carbonitrile
SMILESCC1(C#N)C=COCC1
InChIInChI=1S/C7H9NO/c1-7(6-8)2-4-9-5-3-7/h2,4H,3,5H2,1H3
InChIKeyILGUWTVKCRXSBD-UHFFFAOYSA-N
XLogP1.45
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydropyran-4-carbonitrile?
The IUPAC name of 4-methyl-2,3-dihydropyran-4-carbonitrile (CID 167731866) is 4-methyl-2,3-dihydropyran-4-carbonitrile.
What is the SMILES notation for 4-methyl-2,3-dihydropyran-4-carbonitrile?
The canonical SMILES for 4-methyl-2,3-dihydropyran-4-carbonitrile is CC1(C#N)C=COCC1.
What is the InChIKey of 4-methyl-2,3-dihydropyran-4-carbonitrile?
The InChIKey is ILGUWTVKCRXSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-7(6-8)2-4-9-5-3-7/h2,4H,3,5H2,1H3.
What are the key properties of 4-methyl-2,3-dihydropyran-4-carbonitrile?
4-methyl-2,3-dihydropyran-4-carbonitrile has a molecular weight of 123.15 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydropyran-4-carbonitrile is sourced from PubChem (CID 167731866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).