2-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine

C12H19NO — CID 89188897

IUPAC2-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine
SMILESCCCCC1(C2=CC=CC2)NCCO1
InChIInChI=1S/C12H19NO/c1-2-3-8-12(13-9-10-14-12)11-6-4-5-7-11/h4-6,13H,2-3,7-10H2,1H3
InChIKeyIRTLBWKRUFSFFD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.38
Rot. Bonds4

About 2-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine

2-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine (PubChem CID 89188897) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine.

Molecular Properties

Compound Name2-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine
PubChem CID89188897
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine
SMILESCCCCC1(C2=CC=CC2)NCCO1
InChIInChI=1S/C12H19NO/c1-2-3-8-12(13-9-10-14-12)11-6-4-5-7-11/h4-6,13H,2-3,7-10H2,1H3
InChIKeyIRTLBWKRUFSFFD-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

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Related Compounds

CID 89188898
CID 89188898
CID 123971731
CID 123971731
CID 145138570
CID 145138570
CID 71331125
CID 71331125

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine?
The IUPAC name of 2-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine (CID 89188897) is 2-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine.
What is the SMILES notation for 2-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine?
The canonical SMILES for 2-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine is CCCCC1(C2=CC=CC2)NCCO1.
What is the InChIKey of 2-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine?
The InChIKey is IRTLBWKRUFSFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-8-12(13-9-10-14-12)11-6-4-5-7-11/h4-6,13H,2-3,7-10H2,1H3.
What are the key properties of 2-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine?
2-butyl-2-cyclopenta-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-butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine is sourced from PubChem (CID 89188897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).