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

C12H22N2O2 — CID 103902361

IUPAC5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one
SMILESCC(NCC1CCC(=O)N1)C1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-9(10-4-6-16-7-5-10)13-8-11-2-3-12(15)14-11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyHFOZUCOQEYHEGC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds4

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

5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one (PubChem CID 103902361) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one
PubChem CID103902361
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one
SMILESCC(NCC1CCC(=O)N1)C1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-9(10-4-6-16-7-5-10)13-8-11-2-3-12(15)14-11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyHFOZUCOQEYHEGC-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-cyclopropylpropylamino)methyl]pyrrolidin-2-one
CID 107529963
N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine
CID 115713106
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one
CID 107529971
methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate
CID 105357507
5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one
CID 107529275
5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 113428831
5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726637
5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529723
5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 115890616
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800
5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one
CID 107529578

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one (CID 103902361) is 5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one is CC(NCC1CCC(=O)N1)C1CCOCC1.
What is the InChIKey of 5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one?
The InChIKey is HFOZUCOQEYHEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(10-4-6-16-7-5-10)13-8-11-2-3-12(15)14-11/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one?
5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 103902361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).