1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine

C16H26N4 — CID 114719422

IUPAC1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC1(c2cncn2C2CCN3CCCCC23)CCNC1
InChIInChI=1S/C16H26N4/c1-16(6-7-17-11-16)15-10-18-12-20(15)14-5-9-19-8-3-2-4-13(14)19/h10,12-14,17H,2-9,11H2,1H3
InChIKeyKWDQMKGFUTXFNN-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.93
Rot. Bonds2

About 1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine

1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 114719422) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID114719422
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC1(c2cncn2C2CCN3CCCCC23)CCNC1
InChIInChI=1S/C16H26N4/c1-16(6-7-17-11-16)15-10-18-12-20(15)14-5-9-19-8-3-2-4-13(14)19/h10,12-14,17H,2-9,11H2,1H3
InChIKeyKWDQMKGFUTXFNN-UHFFFAOYSA-N
XLogP1.93
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 114719422) is 1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine is CC1(c2cncn2C2CCN3CCCCC23)CCNC1.
What is the InChIKey of 1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is KWDQMKGFUTXFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-16(6-7-17-11-16)15-10-18-12-20(15)14-5-9-19-8-3-2-4-13(14)19/h10,12-14,17H,2-9,11H2,1H3.
What are the key properties of 1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 274.41 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 114719422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).