oxan-3-yl(pyrrolidin-2-yl)methanone

C10H17NO2 — CID 107138286

IUPACoxan-3-yl(pyrrolidin-2-yl)methanone
SMILESO=C(C1CCCOC1)C1CCCN1
InChIInChI=1S/C10H17NO2/c12-10(9-4-1-5-11-9)8-3-2-6-13-7-8/h8-9,11H,1-7H2
InChIKeyMDZJVOMGLPKRMB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.73
Rot. Bonds2

About oxan-3-yl(pyrrolidin-2-yl)methanone

oxan-3-yl(pyrrolidin-2-yl)methanone (PubChem CID 107138286) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is oxan-3-yl(pyrrolidin-2-yl)methanone.

Molecular Properties

Compound Nameoxan-3-yl(pyrrolidin-2-yl)methanone
PubChem CID107138286
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameoxan-3-yl(pyrrolidin-2-yl)methanone
SMILESO=C(C1CCCOC1)C1CCCN1
InChIInChI=1S/C10H17NO2/c12-10(9-4-1-5-11-9)8-3-2-6-13-7-8/h8-9,11H,1-7H2
InChIKeyMDZJVOMGLPKRMB-UHFFFAOYSA-N
XLogP0.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2,3,3a,4,6,7,7a-Octahydropyrano[3,4-c]pyrrol-1-yl)propan-1-one
CID 68300292
(2S)-1-cyclopropyl-2-(1-methoxyethylamino)-2-(oxan-4-yl)ethanone
CID 144153741
(1S)-3-methyl-1-(oxan-4-yl)-1-(propan-2-ylamino)butan-2-one
CID 164724435
(1S)-1-(ethylamino)-3-methyl-1-(oxan-4-yl)butan-2-one
CID 167006075
3-Methyl-1-(oxan-4-yl)-1-(propan-2-ylamino)butan-2-one
CID 167006079
2-(Oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976723
2-Methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-one
CID 107135927
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone
CID 107138289
1-(Oxan-3-yl)-2-(propan-2-ylamino)ethanone
CID 107138307
2-(Cyclopropylamino)-1-(oxan-3-yl)ethanone
CID 107138308
2-(Butan-2-ylamino)-1-(oxan-3-yl)ethanone
CID 107138312
1-(Oxan-3-yl)-4-(propan-2-ylamino)butan-1-one
CID 107138319

Frequently Asked Questions

What is the IUPAC name of oxan-3-yl(pyrrolidin-2-yl)methanone?
The IUPAC name of oxan-3-yl(pyrrolidin-2-yl)methanone (CID 107138286) is oxan-3-yl(pyrrolidin-2-yl)methanone.
What is the SMILES notation for oxan-3-yl(pyrrolidin-2-yl)methanone?
The canonical SMILES for oxan-3-yl(pyrrolidin-2-yl)methanone is O=C(C1CCCOC1)C1CCCN1.
What is the InChIKey of oxan-3-yl(pyrrolidin-2-yl)methanone?
The InChIKey is MDZJVOMGLPKRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(9-4-1-5-11-9)8-3-2-6-13-7-8/h8-9,11H,1-7H2.
What are the key properties of oxan-3-yl(pyrrolidin-2-yl)methanone?
oxan-3-yl(pyrrolidin-2-yl)methanone has a molecular weight of 183.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl(pyrrolidin-2-yl)methanone is sourced from PubChem (CID 107138286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).