1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one

C11H21NO2 — CID 90295851

IUPAC1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one
SMILESCOCCN1CCC(C(=O)C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-9(2)11(13)10-4-5-12(8-10)6-7-14-3/h9-10H,4-8H2,1-3H3
InChIKeyDQLMXFLFCSIGKK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.18
Rot. Bonds5

About 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one

1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one (PubChem CID 90295851) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one
PubChem CID90295851
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one
SMILESCOCCN1CCC(C(=O)C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-9(2)11(13)10-4-5-12(8-10)6-7-14-3/h9-10H,4-8H2,1-3H3
InChIKeyDQLMXFLFCSIGKK-UHFFFAOYSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one (CID 90295851) is 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one is COCCN1CCC(C(=O)C(C)C)C1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one?
The InChIKey is DQLMXFLFCSIGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)11(13)10-4-5-12(8-10)6-7-14-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one?
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one is sourced from PubChem (CID 90295851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).