2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

C14H25NO2 — CID 106982187

IUPAC2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCC(C)C1(C(=O)CC2CCOCC2)CCNC1
InChIInChI=1S/C14H25NO2/c1-11(2)14(5-6-15-10-14)13(16)9-12-3-7-17-8-4-12/h11-12,15H,3-10H2,1-2H3
InChIKeyLJWIPTMQAWDVBD-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.01
Rot. Bonds4

About 2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (PubChem CID 106982187) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
PubChem CID106982187
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCC(C)C1(C(=O)CC2CCOCC2)CCNC1
InChIInChI=1S/C14H25NO2/c1-11(2)14(5-6-15-10-14)13(16)9-12-3-7-17-8-4-12/h11-12,15H,3-10H2,1-2H3
InChIKeyLJWIPTMQAWDVBD-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oxan-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 107138373
2-(Oxan-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 116572877
4-(Oxolan-3-yl)-1-piperidin-4-ylbutan-1-one
CID 68853577
3-(Oxolan-3-yl)-1-piperidin-4-ylpropan-1-one
CID 68853885
2-(Oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976723
3-(Oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one
CID 106982059
5-Oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982060
Oxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982110
4-Methoxy-2-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)butan-1-one
CID 106982192
1,9-Dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982197
2,6-Dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982198
6-Oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982269

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (CID 106982187) is 2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is CC(C)C1(C(=O)CC2CCOCC2)CCNC1.
What is the InChIKey of 2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The InChIKey is LJWIPTMQAWDVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)14(5-6-15-10-14)13(16)9-12-3-7-17-8-4-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 106982187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).