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

C11H21NO2 — CID 116561287

IUPAC4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
SMILESCNC1COCC1C(=O)CCC(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)4-5-11(13)9-6-14-7-10(9)12-3/h8-10,12H,4-7H2,1-3H3
InChIKeyDQRRAOQSUHDWSP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.23
Rot. Bonds5

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

4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one (PubChem CID 116561287) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
PubChem CID116561287
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
SMILESCNC1COCC1C(=O)CCC(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)4-5-11(13)9-6-14-7-10(9)12-3/h8-10,12H,4-7H2,1-3H3
InChIKeyDQRRAOQSUHDWSP-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

4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one
CID 114477902
1-[4-(methylamino)oxolan-3-yl]octan-1-one
CID 116561320
1-[4-(methylamino)oxolan-3-yl]pent-4-yn-1-one
CID 116561489
2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 116561302
N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide
CID 66267744
N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide
CID 66265969
butan-2-yl 4-(methylamino)oxolane-3-carboxylate
CID 66267071
N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267245
N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide
CID 79249718
1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one
CID 116587978
4-methyl-1-(2-methylcyclopropyl)pentan-1-one
CID 65421248
1-[4-(methylamino)oxolan-3-yl]prop-2-en-1-one
CID 116561380

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one (CID 116561287) is 4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one is CNC1COCC1C(=O)CCC(C)C.
What is the InChIKey of 4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one?
The InChIKey is DQRRAOQSUHDWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)4-5-11(13)9-6-14-7-10(9)12-3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one?
4-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 4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one is sourced from PubChem (CID 116561287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).