2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate

C15H20N2O3 — CID 82099566

IUPAC2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate
SMILESCC(C)COC(=O)Cn1c(C(C)C)ccc(C#N)c1=O
InChIInChI=1S/C15H20N2O3/c1-10(2)9-20-14(18)8-17-13(11(3)4)6-5-12(7-16)15(17)19/h5-6,10-11H,8-9H2,1-4H3
InChIKeyVPZLGKHZLZXXQF-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.04
Rot. Bonds5

About 2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate

2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate (PubChem CID 82099566) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate
PubChem CID82099566
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate
SMILESCC(C)COC(=O)Cn1c(C(C)C)ccc(C#N)c1=O
InChIInChI=1S/C15H20N2O3/c1-10(2)9-20-14(18)8-17-13(11(3)4)6-5-12(7-16)15(17)19/h5-6,10-11H,8-9H2,1-4H3
InChIKeyVPZLGKHZLZXXQF-UHFFFAOYSA-N
XLogP2.04
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate?
The IUPAC name of 2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate (CID 82099566) is 2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate.
What is the SMILES notation for 2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate?
The canonical SMILES for 2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate is CC(C)COC(=O)Cn1c(C(C)C)ccc(C#N)c1=O.
What is the InChIKey of 2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate?
The InChIKey is VPZLGKHZLZXXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)9-20-14(18)8-17-13(11(3)4)6-5-12(7-16)15(17)19/h5-6,10-11H,8-9H2,1-4H3.
What are the key properties of 2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate?
2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate has a molecular weight of 276.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate is sourced from PubChem (CID 82099566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).