2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine

C12H19NO — CID 123971731

IUPAC2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine
SMILESCC(C)(C)C1=C(C2NCCO2)CC=C1
InChIInChI=1S/C12H19NO/c1-12(2,3)10-6-4-5-9(10)11-13-7-8-14-11/h4,6,11,13H,5,7-8H2,1-3H3
InChIKeyQWAWNKXFCCWOCJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.23
Rot. Bonds1

About 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine

2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine (PubChem CID 123971731) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine
PubChem CID123971731
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine
SMILESCC(C)(C)C1=C(C2NCCO2)CC=C1
InChIInChI=1S/C12H19NO/c1-12(2,3)10-6-4-5-9(10)11-13-7-8-14-11/h4,6,11,13H,5,7-8H2,1-3H3
InChIKeyQWAWNKXFCCWOCJ-UHFFFAOYSA-N
XLogP2.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine?
The IUPAC name of 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine (CID 123971731) is 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine.
What is the SMILES notation for 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine?
The canonical SMILES for 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine is CC(C)(C)C1=C(C2NCCO2)CC=C1.
What is the InChIKey of 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine?
The InChIKey is QWAWNKXFCCWOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)10-6-4-5-9(10)11-13-7-8-14-11/h4,6,11,13H,5,7-8H2,1-3H3.
What are the key properties of 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine?
2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine has a molecular weight of 193.29 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine is sourced from PubChem (CID 123971731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).