3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one

C12H22N2O2 — CID 109013257

IUPAC3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNCC1CCCO1)N1CCCC1
InChIInChI=1S/C12H22N2O2/c15-12(14-7-1-2-8-14)5-6-13-10-11-4-3-9-16-11/h11,13H,1-10H2
InChIKeyUFMKVYDQXYXILK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds5

About 3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one

3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 109013257) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID109013257
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNCC1CCCO1)N1CCCC1
InChIInChI=1S/C12H22N2O2/c15-12(14-7-1-2-8-14)5-6-13-10-11-4-3-9-16-11/h11,13H,1-10H2
InChIKeyUFMKVYDQXYXILK-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 109013257) is 3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCNCC1CCCO1)N1CCCC1.
What is the InChIKey of 3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UFMKVYDQXYXILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(14-7-1-2-8-14)5-6-13-10-11-4-3-9-16-11/h11,13H,1-10H2.
What are the key properties of 3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 109013257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).