(5S)-5-methylpyrrolidin-3-one

C5H9NO — CID 15474584

IUPAC(5S)-5-methylpyrrolidin-3-one
SMILESC[C@H]1CC(=O)CN1
InChIInChI=1S/C5H9NO/c1-4-2-5(7)3-6-4/h4,6H,2-3H2,1H3/t4-/m0/s1
InChIKeyBOBWXPSRJYGDGV-BYPYZUCNSA-N
MW99.13 g/mol
LogP-0.06
Rot. Bonds

About (5S)-5-methylpyrrolidin-3-one

(5S)-5-methylpyrrolidin-3-one (PubChem CID 15474584) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (5S)-5-methylpyrrolidin-3-one.

Molecular Properties

Compound Name(5S)-5-methylpyrrolidin-3-one
PubChem CID15474584
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(5S)-5-methylpyrrolidin-3-one
SMILESC[C@H]1CC(=O)CN1
InChIInChI=1S/C5H9NO/c1-4-2-5(7)3-6-4/h4,6H,2-3H2,1H3/t4-/m0/s1
InChIKeyBOBWXPSRJYGDGV-BYPYZUCNSA-N
XLogP-0.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methylpyrrolidin-3-one?
The IUPAC name of (5S)-5-methylpyrrolidin-3-one (CID 15474584) is (5S)-5-methylpyrrolidin-3-one.
What is the SMILES notation for (5S)-5-methylpyrrolidin-3-one?
The canonical SMILES for (5S)-5-methylpyrrolidin-3-one is C[C@H]1CC(=O)CN1.
What is the InChIKey of (5S)-5-methylpyrrolidin-3-one?
The InChIKey is BOBWXPSRJYGDGV-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO/c1-4-2-5(7)3-6-4/h4,6H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (5S)-5-methylpyrrolidin-3-one?
(5S)-5-methylpyrrolidin-3-one has a molecular weight of 99.13 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methylpyrrolidin-3-one is sourced from PubChem (CID 15474584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).