(5S)-5-propanoylpyrrolidin-2-one

C7H11NO2 — CID 67580629

IUPAC(5S)-5-propanoylpyrrolidin-2-one
SMILESCCC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H11NO2/c1-2-6(9)5-3-4-7(10)8-5/h5H,2-4H2,1H3,(H,8,10)/t5-/m0/s1
InChIKeyZNWZUSUKYDSVPX-YFKPBYRVSA-N
MW141.17 g/mol
LogP0.24
Rot. Bonds2

About (5S)-5-propanoylpyrrolidin-2-one

(5S)-5-propanoylpyrrolidin-2-one (PubChem CID 67580629) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (5S)-5-propanoylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-propanoylpyrrolidin-2-one
PubChem CID67580629
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(5S)-5-propanoylpyrrolidin-2-one
SMILESCCC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H11NO2/c1-2-6(9)5-3-4-7(10)8-5/h5H,2-4H2,1H3,(H,8,10)/t5-/m0/s1
InChIKeyZNWZUSUKYDSVPX-YFKPBYRVSA-N
XLogP0.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-propanoylpyrrolidin-2-one?
The IUPAC name of (5S)-5-propanoylpyrrolidin-2-one (CID 67580629) is (5S)-5-propanoylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-propanoylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-propanoylpyrrolidin-2-one is CCC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-propanoylpyrrolidin-2-one?
The InChIKey is ZNWZUSUKYDSVPX-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-6(9)5-3-4-7(10)8-5/h5H,2-4H2,1H3,(H,8,10)/t5-/m0/s1.
What are the key properties of (5S)-5-propanoylpyrrolidin-2-one?
(5S)-5-propanoylpyrrolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-propanoylpyrrolidin-2-one is sourced from PubChem (CID 67580629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).