3-methoxy-1-pyrrolidin-1-ylpropan-1-one

C8H15NO2 — CID 14597433

IUPAC3-methoxy-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCCC(=O)N1CCCC1
InChIInChI=1S/C8H15NO2/c1-11-7-4-8(10)9-5-2-3-6-9/h2-7H2,1H3
InChIKeyLSORIQRMKFZNIQ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.65
Rot. Bonds3

About 3-methoxy-1-pyrrolidin-1-ylpropan-1-one

3-methoxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 14597433) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-methoxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-methoxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID14597433
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-methoxy-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCCC(=O)N1CCCC1
InChIInChI=1S/C8H15NO2/c1-11-7-4-8(10)9-5-2-3-6-9/h2-7H2,1H3
InChIKeyLSORIQRMKFZNIQ-UHFFFAOYSA-N
XLogP0.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-methoxy-1-pyrrolidin-1-ylpropan-1-one (CID 14597433) is 3-methoxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-methoxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-methoxy-1-pyrrolidin-1-ylpropan-1-one is COCCC(=O)N1CCCC1.
What is the InChIKey of 3-methoxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LSORIQRMKFZNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-11-7-4-8(10)9-5-2-3-6-9/h2-7H2,1H3.
What are the key properties of 3-methoxy-1-pyrrolidin-1-ylpropan-1-one?
3-methoxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 157.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 14597433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).