1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C11H20N2 — CID 82856132

IUPAC1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESC1CC2C(C3CCNC3)CCN2C1
InChIInChI=1S/C11H20N2/c1-2-11-10(4-7-13(11)6-1)9-3-5-12-8-9/h9-12H,1-8H2
InChIKeyLZOSQUMHBKKPFM-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds1

About 1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 82856132) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID82856132
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESC1CC2C(C3CCNC3)CCN2C1
InChIInChI=1S/C11H20N2/c1-2-11-10(4-7-13(11)6-1)9-3-5-12-8-9/h9-12H,1-8H2
InChIKeyLZOSQUMHBKKPFM-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 82856132) is 1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is C1CC2C(C3CCNC3)CCN2C1.
What is the InChIKey of 1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is LZOSQUMHBKKPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-11-10(4-7-13(11)6-1)9-3-5-12-8-9/h9-12H,1-8H2.
What are the key properties of 1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 180.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 82856132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).