4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one

C12H15NO3 — CID 110699270

IUPAC4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1CCCC1
InChIInChI=1S/C12H15NO3/c1-8-7-10(14)16-9(2)11(8)12(15)13-5-3-4-6-13/h7H,3-6H2,1-2H3
InChIKeyRKRROSADZNDTBE-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.49
Rot. Bonds1

About 4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one

4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one (PubChem CID 110699270) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one
PubChem CID110699270
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1CCCC1
InChIInChI=1S/C12H15NO3/c1-8-7-10(14)16-9(2)11(8)12(15)13-5-3-4-6-13/h7H,3-6H2,1-2H3
InChIKeyRKRROSADZNDTBE-UHFFFAOYSA-N
XLogP1.49
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one?
The IUPAC name of 4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one (CID 110699270) is 4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one.
What is the SMILES notation for 4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one?
The canonical SMILES for 4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one is Cc1cc(=O)oc(C)c1C(=O)N1CCCC1.
What is the InChIKey of 4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one?
The InChIKey is RKRROSADZNDTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-7-10(14)16-9(2)11(8)12(15)13-5-3-4-6-13/h7H,3-6H2,1-2H3.
What are the key properties of 4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one?
4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-(pyrrolidine-1-carbonyl)pyran-2-one is sourced from PubChem (CID 110699270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).