3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one

C7H10ClNO2 — CID 15519024

IUPAC3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1C(C)OC(=O)N1CCCl
InChIInChI=1S/C7H10ClNO2/c1-5-6(2)11-7(10)9(5)4-3-8/h6H,1,3-4H2,2H3
InChIKeyDLEDQIDQHDBDKU-UHFFFAOYSA-N
MW175.61 g/mol
LogP1.58
Rot. Bonds2

About 3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one

3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one (PubChem CID 15519024) has the molecular formula C7H10ClNO2 and a molecular weight of 175.61 g/mol. Its IUPAC name is 3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one
PubChem CID15519024
Molecular FormulaC7H10ClNO2
Molecular Weight175.61 g/mol
Exact Mass175.04
IUPAC Name3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1C(C)OC(=O)N1CCCl
InChIInChI=1S/C7H10ClNO2/c1-5-6(2)11-7(10)9(5)4-3-8/h6H,1,3-4H2,2H3
InChIKeyDLEDQIDQHDBDKU-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Chloroethyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
CID 352731
(5R)-3,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
CID 89324630
3-Ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one
CID 141814280
3,5-Dimethyl-4-methylidene-1,3-oxazolidin-2-one;ethane
CID 156894302
3,5-Dimethyl-4-methylidene-1,3-oxazolidin-2-one
CID 132820769

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one (CID 15519024) is 3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one is C=C1C(C)OC(=O)N1CCCl.
What is the InChIKey of 3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one?
The InChIKey is DLEDQIDQHDBDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2/c1-5-6(2)11-7(10)9(5)4-3-8/h6H,1,3-4H2,2H3.
What are the key properties of 3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one?
3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one has a molecular weight of 175.61 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-5-methyl-4-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 15519024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).