3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

C12H22N2O2 — CID 115666768

IUPAC3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC1(CNCCC(=O)N2CCCC2)COC1
InChIInChI=1S/C12H22N2O2/c1-12(9-16-10-12)8-13-5-4-11(15)14-6-2-3-7-14/h13H,2-10H2,1H3
InChIKeyLUNUAWHPZFMCKH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds5

About 3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 115666768) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID115666768
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC1(CNCCC(=O)N2CCCC2)COC1
InChIInChI=1S/C12H22N2O2/c1-12(9-16-10-12)8-13-5-4-11(15)14-6-2-3-7-14/h13H,2-10H2,1H3
InChIKeyLUNUAWHPZFMCKH-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

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-methyloxetan-3-yl)methylamino]pentanamide
CID 106233481
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013258
1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115647680
3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one
CID 112686467
3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one
CID 137454148
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 113411347
3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62655429
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 107163702
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 115666768) is 3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is CC1(CNCCC(=O)N2CCCC2)COC1.
What is the InChIKey of 3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LUNUAWHPZFMCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(9-16-10-12)8-13-5-4-11(15)14-6-2-3-7-14/h13H,2-10H2,1H3.
What are the key properties of 3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-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 3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 115666768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).