(6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine

C11H17N — CID 59221833

IUPAC(6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine
SMILESC/C=C\C=C1\CC2CCCN2C1
InChIInChI=1S/C11H17N/c1-2-3-5-10-8-11-6-4-7-12(11)9-10/h2-3,5,11H,4,6-9H2,1H3/b3-2-,10-5-
InChIKeyCWGTUFUYSWMNQC-LGCJXHEPSA-N
MW163.26 g/mol
LogP2.36
Rot. Bonds1

About (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine

(6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine (PubChem CID 59221833) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine.

Molecular Properties

Compound Name(6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine
PubChem CID59221833
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine
SMILESC/C=C\C=C1\CC2CCCN2C1
InChIInChI=1S/C11H17N/c1-2-3-5-10-8-11-6-4-7-12(11)9-10/h2-3,5,11H,4,6-9H2,1H3/b3-2-,10-5-
InChIKeyCWGTUFUYSWMNQC-LGCJXHEPSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine?
The IUPAC name of (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine (CID 59221833) is (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine.
What is the SMILES notation for (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine?
The canonical SMILES for (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine is C/C=C\C=C1\CC2CCCN2C1.
What is the InChIKey of (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine?
The InChIKey is CWGTUFUYSWMNQC-LGCJXHEPSA-N. The full InChI is InChI=1S/C11H17N/c1-2-3-5-10-8-11-6-4-7-12(11)9-10/h2-3,5,11H,4,6-9H2,1H3/b3-2-,10-5-.
What are the key properties of (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine?
(6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine has a molecular weight of 163.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine is sourced from PubChem (CID 59221833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).