(2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one

C11H19NO2 — CID 134967474

IUPAC(2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one
SMILESCCCCN1C(=O)C=C[C@H]1OC(C)C
InChIInChI=1S/C11H19NO2/c1-4-5-8-12-10(13)6-7-11(12)14-9(2)3/h6-7,9,11H,4-5,8H2,1-3H3/t11-/m1/s1
InChIKeyXMFPCQAVIRYLPS-LLVKDONJSA-N
MW197.28 g/mol
LogP1.94
Rot. Bonds5

About (2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one

(2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one (PubChem CID 134967474) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one
PubChem CID134967474
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one
SMILESCCCCN1C(=O)C=C[C@H]1OC(C)C
InChIInChI=1S/C11H19NO2/c1-4-5-8-12-10(13)6-7-11(12)14-9(2)3/h6-7,9,11H,4-5,8H2,1-3H3/t11-/m1/s1
InChIKeyXMFPCQAVIRYLPS-LLVKDONJSA-N
XLogP1.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one?
The IUPAC name of (2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one (CID 134967474) is (2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one?
The canonical SMILES for (2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one is CCCCN1C(=O)C=C[C@H]1OC(C)C.
What is the InChIKey of (2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one?
The InChIKey is XMFPCQAVIRYLPS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-5-8-12-10(13)6-7-11(12)14-9(2)3/h6-7,9,11H,4-5,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one?
(2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one has a molecular weight of 197.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butyl-2-propan-2-yloxy-2H-pyrrol-5-one is sourced from PubChem (CID 134967474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).