7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine

C12H20N2 — CID 15275033

IUPAC7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine
SMILESC1=C(N2CCCC2)CC2CCCN2C1
InChIInChI=1S/C12H20N2/c1-2-7-13(6-1)12-5-9-14-8-3-4-11(14)10-12/h5,11H,1-4,6-10H2
InChIKeyWHLDLQIDFNWICI-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.83
Rot. Bonds1

About 7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine

7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine (PubChem CID 15275033) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine.

Molecular Properties

Compound Name7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine
PubChem CID15275033
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine
SMILESC1=C(N2CCCC2)CC2CCCN2C1
InChIInChI=1S/C12H20N2/c1-2-7-13(6-1)12-5-9-14-8-3-4-11(14)10-12/h5,11H,1-4,6-10H2
InChIKeyWHLDLQIDFNWICI-UHFFFAOYSA-N
XLogP1.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Pyrrolidin-1-ylcyclopent-2-en-1-yl)pyrrolidine
CID 14315936
1-(6-Pyrrolidin-1-yl-1-cyclohexenyl)-pyrrolidine
CID 14315943
1-[(1S)-2-pyrrolidin-1-ylcyclopent-2-en-1-yl]pyrrolidine
CID 135086292
7-Piperidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine
CID 15275034
7-Pyrrolidin-1-yl-1,2,3,5,6,8a-hexahydroindolizine
CID 101989170
7-Piperidin-1-yl-1,2,3,5,6,8a-hexahydroindolizine
CID 101989171
1-(Cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 123774253
1-(2-Pyrrolidin-1-ylcyclohept-2-en-1-yl)pyrrolidine
CID 140347966
(2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 141126802
4-pyrrolidin-1-yl-6-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-dihydropyridine
CID 143192099
1-(Cyclohexen-1-yl)pyrrolidine;1-(cyclopenten-1-yl)pyrrolidine
CID 157996565
1-(Cyclohexen-1-yl)pyrrolidine;1-(cyclopenten-1-yl)pyrrolidine;methane
CID 158056364

Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine?
The IUPAC name of 7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine (CID 15275033) is 7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine.
What is the SMILES notation for 7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine?
The canonical SMILES for 7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine is C1=C(N2CCCC2)CC2CCCN2C1.
What is the InChIKey of 7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine?
The InChIKey is WHLDLQIDFNWICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-7-13(6-1)12-5-9-14-8-3-4-11(14)10-12/h5,11H,1-4,6-10H2.
What are the key properties of 7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine?
7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine has a molecular weight of 192.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine is sourced from PubChem (CID 15275033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).