2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one

C12H22N2O2 — CID 43610197

IUPAC2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NC1CCOCC1)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O2/c1-10(12(15)14-6-2-3-7-14)13-11-4-8-16-9-5-11/h10-11,13H,2-9H2,1H3
InChIKeyDFNTUUUFGIXAPY-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds3

About 2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one

2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43610197) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43610197
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NC1CCOCC1)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O2/c1-10(12(15)14-6-2-3-7-14)13-11-4-8-16-9-5-11/h10-11,13H,2-9H2,1H3
InChIKeyDFNTUUUFGIXAPY-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 43610197) is 2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one is CC(NC1CCOCC1)C(=O)N1CCCC1.
What is the InChIKey of 2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is DFNTUUUFGIXAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(12(15)14-6-2-3-7-14)13-11-4-8-16-9-5-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43610197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).