2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one

C11H21NO2 — CID 107889955

IUPAC2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
SMILESCCCC(C)C(=O)C1COCC1NC
InChIInChI=1S/C11H21NO2/c1-4-5-8(2)11(13)9-6-14-7-10(9)12-3/h8-10,12H,4-7H2,1-3H3
InChIKeyZJFIBXYGPQKWCF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.23
Rot. Bonds5

About 2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one

2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one (PubChem CID 107889955) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
PubChem CID107889955
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
SMILESCCCC(C)C(=O)C1COCC1NC
InChIInChI=1S/C11H21NO2/c1-4-5-8(2)11(13)9-6-14-7-10(9)12-3/h8-10,12H,4-7H2,1-3H3
InChIKeyZJFIBXYGPQKWCF-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-Difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 114225547
2-(3,3-Difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 114225578
5,5,5-Trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 116561467
4,4,4-Trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one
CID 116561522
5,5,5-Trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587834
4,4,4-Trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587884
1-[4-(Ethylamino)oxolan-3-yl]-5,5,5-trifluoropentan-1-one
CID 116588116
1-[4-(Ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one
CID 116588167
3-Ethyl-1-methoxy-2-(methylamino)heptan-4-one
CID 91180750
(4-Methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone
CID 107138329
[4-(Methylamino)oxolan-3-yl]-(oxan-3-yl)methanone
CID 107138332
Oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone
CID 107138423

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one?
The IUPAC name of 2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one (CID 107889955) is 2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one?
The canonical SMILES for 2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one is CCCC(C)C(=O)C1COCC1NC.
What is the InChIKey of 2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one?
The InChIKey is ZJFIBXYGPQKWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-5-8(2)11(13)9-6-14-7-10(9)12-3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one?
2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one is sourced from PubChem (CID 107889955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).