(5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one

C8H15NO2 — CID 178109240

IUPAC(5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one
SMILESCO[C@H]1CCC(=O)N1C(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)9-7(10)4-5-8(9)11-3/h6,8H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyDDUGUPMXNQWOMX-QMMMGPOBSA-N
MW157.21 g/mol
LogP0.99
Rot. Bonds2

About (5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one

(5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one (PubChem CID 178109240) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one
PubChem CID178109240
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one
SMILESCO[C@H]1CCC(=O)N1C(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)9-7(10)4-5-8(9)11-3/h6,8H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyDDUGUPMXNQWOMX-QMMMGPOBSA-N
XLogP0.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one (CID 178109240) is (5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one is CO[C@H]1CCC(=O)N1C(C)C.
What is the InChIKey of (5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is DDUGUPMXNQWOMX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)9-7(10)4-5-8(9)11-3/h6,8H,4-5H2,1-3H3/t8-/m0/s1.
What are the key properties of (5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one?
(5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 178109240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).