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

C9H13NO3 — CID 11769192

IUPAC(2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one
SMILESCC(=O)N1C(=O)C=C[C@H]1OC(C)C
InChIInChI=1S/C9H13NO3/c1-6(2)13-9-5-4-8(12)10(9)7(3)11/h4-6,9H,1-3H3/t9-/m1/s1
InChIKeyFNDNSXCVGOVFQD-SECBINFHSA-N
MW183.21 g/mol
LogP0.68
Rot. Bonds2

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

(2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one (PubChem CID 11769192) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one
PubChem CID11769192
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one
SMILESCC(=O)N1C(=O)C=C[C@H]1OC(C)C
InChIInChI=1S/C9H13NO3/c1-6(2)13-9-5-4-8(12)10(9)7(3)11/h4-6,9H,1-3H3/t9-/m1/s1
InChIKeyFNDNSXCVGOVFQD-SECBINFHSA-N
XLogP0.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one?
The IUPAC name of (2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one (CID 11769192) is (2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one?
The canonical SMILES for (2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one is CC(=O)N1C(=O)C=C[C@H]1OC(C)C.
What is the InChIKey of (2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one?
The InChIKey is FNDNSXCVGOVFQD-SECBINFHSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(2)13-9-5-4-8(12)10(9)7(3)11/h4-6,9H,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one?
(2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one has a molecular weight of 183.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-2-propan-2-yloxy-2H-pyrrol-5-one is sourced from PubChem (CID 11769192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).