2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile

C15H19N3O2 — CID 909713

IUPAC2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile
SMILESCC1(C)CC(N2CCOCC2)=C(C=C(C#N)C#N)CO1
InChIInChI=1S/C15H19N3O2/c1-15(2)8-14(18-3-5-19-6-4-18)13(11-20-15)7-12(9-16)10-17/h7H,3-6,8,11H2,1-2H3
InChIKeyRFPNIJNJAJQEKZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.75
Rot. Bonds2

About 2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile

2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile (PubChem CID 909713) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile
PubChem CID909713
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile
SMILESCC1(C)CC(N2CCOCC2)=C(C=C(C#N)C#N)CO1
InChIInChI=1S/C15H19N3O2/c1-15(2)8-14(18-3-5-19-6-4-18)13(11-20-15)7-12(9-16)10-17/h7H,3-6,8,11H2,1-2H3
InChIKeyRFPNIJNJAJQEKZ-UHFFFAOYSA-N
XLogP1.75
TPSA69.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile?
The IUPAC name of 2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile (CID 909713) is 2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile?
The canonical SMILES for 2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile is CC1(C)CC(N2CCOCC2)=C(C=C(C#N)C#N)CO1.
What is the InChIKey of 2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile?
The InChIKey is RFPNIJNJAJQEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2)8-14(18-3-5-19-6-4-18)13(11-20-15)7-12(9-16)10-17/h7H,3-6,8,11H2,1-2H3.
What are the key properties of 2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile?
2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile has a molecular weight of 273.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,6-dimethyl-4-morpholin-4-yl-2,5-dihydropyran-3-yl)methylidene]propanedinitrile is sourced from PubChem (CID 909713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).