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

C13H23N — CID 91083353

IUPAC(6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine;ethane
SMILESC/C=C\C=C1\CC2CCCN2C1.CC
InChIInChI=1S/C11H17N.C2H6/c1-2-3-5-10-8-11-6-4-7-12(11)9-10;1-2/h2-3,5,11H,4,6-9H2,1H3;1-2H3/b3-2-,10-5-;
InChIKeyZCGQDAMHYLOPEK-LPSHTXMTSA-N
MW193.33 g/mol
LogP3.38
Rot. Bonds1

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

(6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine;ethane (PubChem CID 91083353) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine;ethane.

Molecular Properties

Compound Name(6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine;ethane
PubChem CID91083353
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine;ethane
SMILESC/C=C\C=C1\CC2CCCN2C1.CC
InChIInChI=1S/C11H17N.C2H6/c1-2-3-5-10-8-11-6-4-7-12(11)9-10;1-2/h2-3,5,11H,4,6-9H2,1H3;1-2H3/b3-2-,10-5-;
InChIKeyZCGQDAMHYLOPEK-LPSHTXMTSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methylidene-4-(propan-2-yl)hexahydro-1H-pyrrolizin-4-ium bromide
CID 3042877
4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide
CID 3042899
4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine
CID 427384
4-Methyl-1-methyleneoctahydro-4lambda~5~-pyrrolizine
CID 427632
4-Hexyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine
CID 427635
(2R,8R)-2-fluoro-6-propan-2-ylidene-1,2,3,5,7,8-hexahydropyrrolizine
CID 176039046
(3R,5R,8S)-3-[(E)-hept-1-enyl]-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 11117609
2-Phenylpyrrolidin-1-ide;yttrium
CID 134866257
(3R,5R,8S)-3-[(Z)-hept-1-enyl]-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 134993362
(8S)-6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine
CID 134999043
7-Methylidene-4-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolizin-4-ium
CID 3042878
4-Hexan-3-yl-7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-4-ium
CID 3042900

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine;ethane?
The IUPAC name of (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine;ethane (CID 91083353) is (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine;ethane.
What is the SMILES notation for (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine;ethane?
The canonical SMILES for (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine;ethane is C/C=C\C=C1\CC2CCCN2C1.CC.
What is the InChIKey of (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine;ethane?
The InChIKey is ZCGQDAMHYLOPEK-LPSHTXMTSA-N. The full InChI is InChI=1S/C11H17N.C2H6/c1-2-3-5-10-8-11-6-4-7-12(11)9-10;1-2/h2-3,5,11H,4,6-9H2,1H3;1-2H3/b3-2-,10-5-;.
What are the key properties of (6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine;ethane?
(6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine;ethane has a molecular weight of 193.33 g/mol, XLogP of 3.38, 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;ethane is sourced from PubChem (CID 91083353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).