3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine

C13H19N — CID 59036103

IUPAC3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC1=CCC(C2CCC3CCCCN32)=C1
InChIInChI=1S/C13H19N/c1-2-6-11(5-1)13-9-8-12-7-3-4-10-14(12)13/h1-2,5,12-13H,3-4,6-10H2
InChIKeyKIICSPSFCUHEKZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.89
Rot. Bonds1

About 3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine

3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 59036103) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID59036103
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC1=CCC(C2CCC3CCCCN32)=C1
InChIInChI=1S/C13H19N/c1-2-6-11(5-1)13-9-8-12-7-3-4-10-14(12)13/h1-2,5,12-13H,3-4,6-10H2
InChIKeyKIICSPSFCUHEKZ-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 59036103) is 3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine is C1=CCC(C2CCC3CCCCN32)=C1.
What is the InChIKey of 3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is KIICSPSFCUHEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-6-11(5-1)13-9-8-12-7-3-4-10-14(12)13/h1-2,5,12-13H,3-4,6-10H2.
What are the key properties of 3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine?
3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 189.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 59036103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).