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

C10H17NO2 — CID 107138357

IUPACoxan-3-yl(pyrrolidin-3-yl)methanone
SMILESO=C(C1CCNC1)C1CCCOC1
InChIInChI=1S/C10H17NO2/c12-10(8-3-4-11-6-8)9-2-1-5-13-7-9/h8-9,11H,1-7H2
InChIKeyDZZSIGJEBQVLOQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.59
Rot. Bonds2

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

oxan-3-yl(pyrrolidin-3-yl)methanone (PubChem CID 107138357) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is oxan-3-yl(pyrrolidin-3-yl)methanone.

Molecular Properties

Compound Nameoxan-3-yl(pyrrolidin-3-yl)methanone
PubChem CID107138357
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameoxan-3-yl(pyrrolidin-3-yl)methanone
SMILESO=C(C1CCNC1)C1CCCOC1
InChIInChI=1S/C10H17NO2/c12-10(8-3-4-11-6-8)9-2-1-5-13-7-9/h8-9,11H,1-7H2
InChIKeyDZZSIGJEBQVLOQ-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-3-yl(pyrrolidin-3-yl)methanone?
The IUPAC name of oxan-3-yl(pyrrolidin-3-yl)methanone (CID 107138357) is oxan-3-yl(pyrrolidin-3-yl)methanone.
What is the SMILES notation for oxan-3-yl(pyrrolidin-3-yl)methanone?
The canonical SMILES for oxan-3-yl(pyrrolidin-3-yl)methanone is O=C(C1CCNC1)C1CCCOC1.
What is the InChIKey of oxan-3-yl(pyrrolidin-3-yl)methanone?
The InChIKey is DZZSIGJEBQVLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(8-3-4-11-6-8)9-2-1-5-13-7-9/h8-9,11H,1-7H2.
What are the key properties of oxan-3-yl(pyrrolidin-3-yl)methanone?
oxan-3-yl(pyrrolidin-3-yl)methanone has a molecular weight of 183.25 g/mol, XLogP of 0.59, 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-3-yl)methanone is sourced from PubChem (CID 107138357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).