1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone

C10H19NO3 — CID 116560666

IUPAC1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone
SMILESCCCOCC(=O)C1CC(OC)CN1
InChIInChI=1S/C10H19NO3/c1-3-4-14-7-10(12)9-5-8(13-2)6-11-9/h8-9,11H,3-7H2,1-2H3
InChIKeyXFMHQAZAOSLGAL-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.36
Rot. Bonds6

About 1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone

1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone (PubChem CID 116560666) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone
PubChem CID116560666
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone
SMILESCCCOCC(=O)C1CC(OC)CN1
InChIInChI=1S/C10H19NO3/c1-3-4-14-7-10(12)9-5-8(13-2)6-11-9/h8-9,11H,3-7H2,1-2H3
InChIKeyXFMHQAZAOSLGAL-UHFFFAOYSA-N
XLogP0.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone?
The IUPAC name of 1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone (CID 116560666) is 1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone.
What is the SMILES notation for 1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone?
The canonical SMILES for 1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone is CCCOCC(=O)C1CC(OC)CN1.
What is the InChIKey of 1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone?
The InChIKey is XFMHQAZAOSLGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-4-14-7-10(12)9-5-8(13-2)6-11-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone?
1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone has a molecular weight of 201.27 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone is sourced from PubChem (CID 116560666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).