(6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine

C10H16ClN — CID 177095467

IUPAC(6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC[C@]12CCCN1C/C(=C/Cl)C2
InChIInChI=1S/C10H16ClN/c1-2-10-4-3-5-12(10)8-9(6-10)7-11/h7H,2-6,8H2,1H3/b9-7+/t10-/m1/s1
InChIKeyVSBCYODYZZMGDI-TTZKWOQHSA-N
MW185.70 g/mol
LogP2.76
Rot. Bonds1

About (6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine

(6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 177095467) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is (6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID177095467
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name(6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC[C@]12CCCN1C/C(=C/Cl)C2
InChIInChI=1S/C10H16ClN/c1-2-10-4-3-5-12(10)8-9(6-10)7-11/h7H,2-6,8H2,1H3/b9-7+/t10-/m1/s1
InChIKeyVSBCYODYZZMGDI-TTZKWOQHSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 170564986
8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride
CID 168881533
(6E,8R)-8-(1,1-dideuterio-2-methylpropyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776729
(6Z,8R)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 172627685
(6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 170771550
[(6Z)-6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164922515
2-[8-(hydroxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-ylidene]-N,N-dimethylacetamide
CID 178064967
(6Z,8R)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776736
8-(ethoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one
CID 170411839
ethane;(8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176919647
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304

Frequently Asked Questions

What is the IUPAC name of (6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 177095467) is (6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine is CC[C@]12CCCN1C/C(=C/Cl)C2.
What is the InChIKey of (6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is VSBCYODYZZMGDI-TTZKWOQHSA-N. The full InChI is InChI=1S/C10H16ClN/c1-2-10-4-3-5-12(10)8-9(6-10)7-11/h7H,2-6,8H2,1H3/b9-7+/t10-/m1/s1.
What are the key properties of (6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 185.70 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 177095467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).