1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one

C10H17NO2 — CID 175699818

IUPAC1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1[C@@H](C)CC
InChIInChI=1S/C10H17NO2/c1-4-7(3)11-8(5-2)6-9(12)10(11)13/h6-8,12H,4-5H2,1-3H3/t7-,8?/m0/s1
InChIKeyGDJVOGKBVPKKPF-JAMMHHFISA-N
MW183.25 g/mol
LogP1.85
Rot. Bonds3

About 1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one

1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one (PubChem CID 175699818) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one
PubChem CID175699818
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1[C@@H](C)CC
InChIInChI=1S/C10H17NO2/c1-4-7(3)11-8(5-2)6-9(12)10(11)13/h6-8,12H,4-5H2,1-3H3/t7-,8?/m0/s1
InChIKeyGDJVOGKBVPKKPF-JAMMHHFISA-N
XLogP1.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one (CID 175699818) is 1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one is CCC1C=C(O)C(=O)N1[C@@H](C)CC.
What is the InChIKey of 1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is GDJVOGKBVPKKPF-JAMMHHFISA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-7(3)11-8(5-2)6-9(12)10(11)13/h6-8,12H,4-5H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one?
1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 175699818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).