1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one

C12H21NO2 — CID 116583468

IUPAC1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one
SMILESO=C(CC1CCOCC1)CC1CCNC1
InChIInChI=1S/C12H21NO2/c14-12(8-11-1-4-13-9-11)7-10-2-5-15-6-3-10/h10-11,13H,1-9H2
InChIKeyCDLFIPFSVZCXMK-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.37
Rot. Bonds4

About 1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one

1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one (PubChem CID 116583468) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one
PubChem CID116583468
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one
SMILESO=C(CC1CCOCC1)CC1CCNC1
InChIInChI=1S/C12H21NO2/c14-12(8-11-1-4-13-9-11)7-10-2-5-15-6-3-10/h10-11,13H,1-9H2
InChIKeyCDLFIPFSVZCXMK-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-morpholin-4-yl-2-pyrrolidin-3-ylacetamide
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N-(oxolan-3-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide
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1-(azetidin-3-yl)-3-cyclobutylpropan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one?
The IUPAC name of 1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one (CID 116583468) is 1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one.
What is the SMILES notation for 1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one?
The canonical SMILES for 1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one is O=C(CC1CCOCC1)CC1CCNC1.
What is the InChIKey of 1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one?
The InChIKey is CDLFIPFSVZCXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(8-11-1-4-13-9-11)7-10-2-5-15-6-3-10/h10-11,13H,1-9H2.
What are the key properties of 1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one?
1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one has a molecular weight of 211.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one is sourced from PubChem (CID 116583468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).