1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one

C8H15NO2 — CID 11961406

IUPAC1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one
SMILESCC[C@@H](CO)N1CCCC1=O
InChIInChI=1S/C8H15NO2/c1-2-7(6-10)9-5-3-4-8(9)11/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyCTCWBXABZAYHTH-ZETCQYMHSA-N
MW157.21 g/mol
LogP0.38
Rot. Bonds3

About 1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one

1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one (PubChem CID 11961406) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one
PubChem CID11961406
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one
SMILESCC[C@@H](CO)N1CCCC1=O
InChIInChI=1S/C8H15NO2/c1-2-7(6-10)9-5-3-4-8(9)11/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyCTCWBXABZAYHTH-ZETCQYMHSA-N
XLogP0.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one (CID 11961406) is 1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one is CC[C@@H](CO)N1CCCC1=O.
What is the InChIKey of 1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one?
The InChIKey is CTCWBXABZAYHTH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-7(6-10)9-5-3-4-8(9)11/h7,10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one?
1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxybutan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 11961406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).