3,4-dihydro-2H-pyran-4-carbonitrile

C6H7NO — CID 174476287

IUPAC3,4-dihydro-2H-pyran-4-carbonitrile
SMILESN#CC1C=COCC1
InChIInChI=1S/C6H7NO/c7-5-6-1-3-8-4-2-6/h1,3,6H,2,4H2
InChIKeyNWWXAYIVZCHCAE-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.06
Rot. Bonds

About 3,4-dihydro-2H-pyran-4-carbonitrile

3,4-dihydro-2H-pyran-4-carbonitrile (PubChem CID 174476287) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-4-carbonitrile.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-4-carbonitrile
PubChem CID174476287
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name3,4-dihydro-2H-pyran-4-carbonitrile
SMILESN#CC1C=COCC1
InChIInChI=1S/C6H7NO/c7-5-6-1-3-8-4-2-6/h1,3,6H,2,4H2
InChIKeyNWWXAYIVZCHCAE-UHFFFAOYSA-N
XLogP1.06
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-4-carbonitrile?
The IUPAC name of 3,4-dihydro-2H-pyran-4-carbonitrile (CID 174476287) is 3,4-dihydro-2H-pyran-4-carbonitrile.
What is the SMILES notation for 3,4-dihydro-2H-pyran-4-carbonitrile?
The canonical SMILES for 3,4-dihydro-2H-pyran-4-carbonitrile is N#CC1C=COCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-4-carbonitrile?
The InChIKey is NWWXAYIVZCHCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c7-5-6-1-3-8-4-2-6/h1,3,6H,2,4H2.
What are the key properties of 3,4-dihydro-2H-pyran-4-carbonitrile?
3,4-dihydro-2H-pyran-4-carbonitrile has a molecular weight of 109.13 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-4-carbonitrile is sourced from PubChem (CID 174476287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).