1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine

C13H18ClNO — CID 178061148

IUPAC1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine
SMILESC=Cc1ccc(Cl)cc1.CC1(C)NCCO1
InChIInChI=1S/C8H7Cl.C5H11NO/c1-2-7-3-5-8(9)6-4-7;1-5(2)6-3-4-7-5/h2-6H,1H2;6H,3-4H2,1-2H3
InChIKeyBTJCQEYKUYSMDW-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.33
Rot. Bonds1

About 1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine

1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine (PubChem CID 178061148) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine
PubChem CID178061148
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine
SMILESC=Cc1ccc(Cl)cc1.CC1(C)NCCO1
InChIInChI=1S/C8H7Cl.C5H11NO/c1-2-7-3-5-8(9)6-4-7;1-5(2)6-3-4-7-5/h2-6H,1H2;6H,3-4H2,1-2H3
InChIKeyBTJCQEYKUYSMDW-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine?
The IUPAC name of 1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine (CID 178061148) is 1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine?
The canonical SMILES for 1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine is C=Cc1ccc(Cl)cc1.CC1(C)NCCO1.
What is the InChIKey of 1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine?
The InChIKey is BTJCQEYKUYSMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl.C5H11NO/c1-2-7-3-5-8(9)6-4-7;1-5(2)6-3-4-7-5/h2-6H,1H2;6H,3-4H2,1-2H3.
What are the key properties of 1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine?
1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine has a molecular weight of 239.75 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethenylbenzene;2,2-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 178061148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).