(3S)-3-methylpyrrolidin-2-one

C5H9NO — CID 7568523

IUPAC(3S)-3-methylpyrrolidin-2-one
SMILESC[C@H]1CCNC1=O
InChIInChI=1S/C5H9NO/c1-4-2-3-6-5(4)7/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKeyAOCWQPKHSMJWPL-BYPYZUCNSA-N
MW99.13 g/mol
LogP0.14
Rot. Bonds

About (3S)-3-methylpyrrolidin-2-one

(3S)-3-methylpyrrolidin-2-one (PubChem CID 7568523) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (3S)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-methylpyrrolidin-2-one
PubChem CID7568523
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(3S)-3-methylpyrrolidin-2-one
SMILESC[C@H]1CCNC1=O
InChIInChI=1S/C5H9NO/c1-4-2-3-6-5(4)7/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKeyAOCWQPKHSMJWPL-BYPYZUCNSA-N
XLogP0.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-methylpyrrolidin-2-one (CID 7568523) is (3S)-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-methylpyrrolidin-2-one is C[C@H]1CCNC1=O.
What is the InChIKey of (3S)-3-methylpyrrolidin-2-one?
The InChIKey is AOCWQPKHSMJWPL-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO/c1-4-2-3-6-5(4)7/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1.
What are the key properties of (3S)-3-methylpyrrolidin-2-one?
(3S)-3-methylpyrrolidin-2-one has a molecular weight of 99.13 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 7568523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).