3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one

C11H11Cl2NO2 — CID 43824125

IUPAC3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2NO2/c12-8-2-1-3-9(13)7(8)6-14-10-4-5-16-11(10)15/h1-3,10,14H,4-6H2
InChIKeyAJYMRGLZTCGKBF-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.40
Rot. Bonds3

About 3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one

3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one (PubChem CID 43824125) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one
PubChem CID43824125
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2NO2/c12-8-2-1-3-9(13)7(8)6-14-10-4-5-16-11(10)15/h1-3,10,14H,4-6H2
InChIKeyAJYMRGLZTCGKBF-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one
CID 43824109
3-[(2-bromophenyl)methylamino]oxolan-2-one
CID 43824145
3-[(2-fluorophenyl)methylamino]oxolan-2-one
CID 43824122
3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one
CID 43824126
3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one
CID 43824124
3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one
CID 43823904
3-(2-phenylethylamino)oxolan-2-one
CID 43823897
3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one
CID 112608577
3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one
CID 131107562
methyl 4-[[(2-oxooxolan-3-yl)amino]methyl]benzoate
CID 43823979
3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one
CID 43824156
2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid
CID 28896991

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one?
The IUPAC name of 3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one (CID 43824125) is 3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one is O=C1OCCC1NCc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one?
The InChIKey is AJYMRGLZTCGKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c12-8-2-1-3-9(13)7(8)6-14-10-4-5-16-11(10)15/h1-3,10,14H,4-6H2.
What are the key properties of 3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one?
3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one has a molecular weight of 260.12 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one is sourced from PubChem (CID 43824125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).