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

C12H19NO — CID 89188898

IUPAC2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine
SMILESCCCCC1=C(C2NCCO2)CC=C1
InChIInChI=1S/C12H19NO/c1-2-3-5-10-6-4-7-11(10)12-13-8-9-14-12/h4,6,12-13H,2-3,5,7-9H2,1H3
InChIKeyYETXIEHNOZGAAZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.38
Rot. Bonds4

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

2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine (PubChem CID 89188898) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine
PubChem CID89188898
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine
SMILESCCCCC1=C(C2NCCO2)CC=C1
InChIInChI=1S/C12H19NO/c1-2-3-5-10-6-4-7-11(10)12-13-8-9-14-12/h4,6,12-13H,2-3,5,7-9H2,1H3
InChIKeyYETXIEHNOZGAAZ-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine?
The IUPAC name of 2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine (CID 89188898) is 2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine.
What is the SMILES notation for 2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine?
The canonical SMILES for 2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine is CCCCC1=C(C2NCCO2)CC=C1.
What is the InChIKey of 2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine?
The InChIKey is YETXIEHNOZGAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-5-10-6-4-7-11(10)12-13-8-9-14-12/h4,6,12-13H,2-3,5,7-9H2,1H3.
What are the key properties of 2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine?
2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine has a molecular weight of 193.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylcyclopenta-1,3-dien-1-yl)-1,3-oxazolidine is sourced from PubChem (CID 89188898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).