1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one

C12H22N2O2 — CID 60935631

IUPAC1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCC1CCOC1
InChIInChI=1S/C12H22N2O2/c1-10(8-14-5-2-3-12(14)15)13-7-11-4-6-16-9-11/h10-11,13H,2-9H2,1H3
InChIKeyDRANXEYDBGJVCQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds5

About 1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one

1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one (PubChem CID 60935631) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one
PubChem CID60935631
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCC1CCOC1
InChIInChI=1S/C12H22N2O2/c1-10(8-14-5-2-3-12(14)15)13-7-11-4-6-16-9-11/h10-11,13H,2-9H2,1H3
InChIKeyDRANXEYDBGJVCQ-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one (CID 60935631) is 1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NCC1CCOC1.
What is the InChIKey of 1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one?
The InChIKey is DRANXEYDBGJVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(8-14-5-2-3-12(14)15)13-7-11-4-6-16-9-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one?
1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 60935631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).