(5S)-1-benzyl-5-methoxypyrrolidin-2-one

C12H15NO2 — CID 134067770

IUPAC(5S)-1-benzyl-5-methoxypyrrolidin-2-one
SMILESCO[C@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-15-12-8-7-11(14)13(12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3/t12-/m0/s1
InChIKeyFYVWVPSQGZGVII-LBPRGKRZSA-N
MW205.26 g/mol
LogP1.78
Rot. Bonds3

About (5S)-1-benzyl-5-methoxypyrrolidin-2-one

(5S)-1-benzyl-5-methoxypyrrolidin-2-one (PubChem CID 134067770) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (5S)-1-benzyl-5-methoxypyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-methoxypyrrolidin-2-one
PubChem CID134067770
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(5S)-1-benzyl-5-methoxypyrrolidin-2-one
SMILESCO[C@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-15-12-8-7-11(14)13(12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3/t12-/m0/s1
InChIKeyFYVWVPSQGZGVII-LBPRGKRZSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-methoxypyrrolidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-methoxypyrrolidin-2-one (CID 134067770) is (5S)-1-benzyl-5-methoxypyrrolidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-methoxypyrrolidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-methoxypyrrolidin-2-one is CO[C@H]1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-5-methoxypyrrolidin-2-one?
The InChIKey is FYVWVPSQGZGVII-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12-8-7-11(14)13(12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-methoxypyrrolidin-2-one?
(5S)-1-benzyl-5-methoxypyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-methoxypyrrolidin-2-one is sourced from PubChem (CID 134067770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).