2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile

C10H10N2O — CID 151605925

IUPAC2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile
SMILESCC1=CC(C(C#N)C#N)C=C(C)O1
InChIInChI=1S/C10H10N2O/c1-7-3-9(4-8(2)13-7)10(5-11)6-12/h3-4,9-10H,1-2H3
InChIKeyQLLRWDPCKZALHI-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.10
Rot. Bonds1

About 2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile

2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile (PubChem CID 151605925) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile.

Molecular Properties

Compound Name2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile
PubChem CID151605925
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile
SMILESCC1=CC(C(C#N)C#N)C=C(C)O1
InChIInChI=1S/C10H10N2O/c1-7-3-9(4-8(2)13-7)10(5-11)6-12/h3-4,9-10H,1-2H3
InChIKeyQLLRWDPCKZALHI-UHFFFAOYSA-N
XLogP2.10
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile?
The IUPAC name of 2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile (CID 151605925) is 2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile.
What is the SMILES notation for 2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile?
The canonical SMILES for 2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile is CC1=CC(C(C#N)C#N)C=C(C)O1.
What is the InChIKey of 2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile?
The InChIKey is QLLRWDPCKZALHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-3-9(4-8(2)13-7)10(5-11)6-12/h3-4,9-10H,1-2H3.
What are the key properties of 2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile?
2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile has a molecular weight of 174.20 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4H-pyran-4-yl)propanedinitrile is sourced from PubChem (CID 151605925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).