1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one

C11H20N2O2 — CID 91623573

IUPAC1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one
SMILESCN1C(=O)CCC1CNC1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-13-10(2-3-11(13)14)8-12-9-4-6-15-7-5-9/h9-10,12H,2-8H2,1H3
InChIKeyKLVBPEFDBDVRNR-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.38
Rot. Bonds3

About 1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one

1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one (PubChem CID 91623573) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one
PubChem CID91623573
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one
SMILESCN1C(=O)CCC1CNC1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-13-10(2-3-11(13)14)8-12-9-4-6-15-7-5-9/h9-10,12H,2-8H2,1H3
InChIKeyKLVBPEFDBDVRNR-UHFFFAOYSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one (CID 91623573) is 1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one is CN1C(=O)CCC1CNC1CCOCC1.
What is the InChIKey of 1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one?
The InChIKey is KLVBPEFDBDVRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13-10(2-3-11(13)14)8-12-9-4-6-15-7-5-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one?
1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 91623573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).