1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine

C12H19N — CID 23239568

IUPAC1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine
SMILESC1=C(/C=C/N2CCCC2)CCCC1
InChIInChI=1S/C12H19N/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h6,8,11H,1-5,7,9-10H2/b11-8+
InChIKeyOMGLTGQSLTUZGP-DHZHZOJOSA-N
MW177.29 g/mol
LogP3.10
Rot. Bonds2

About 1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine

1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine (PubChem CID 23239568) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine
PubChem CID23239568
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine
SMILESC1=C(/C=C/N2CCCC2)CCCC1
InChIInChI=1S/C12H19N/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h6,8,11H,1-5,7,9-10H2/b11-8+
InChIKeyOMGLTGQSLTUZGP-DHZHZOJOSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine?
The IUPAC name of 1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine (CID 23239568) is 1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine?
The canonical SMILES for 1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine is C1=C(/C=C/N2CCCC2)CCCC1.
What is the InChIKey of 1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine?
The InChIKey is OMGLTGQSLTUZGP-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H19N/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h6,8,11H,1-5,7,9-10H2/b11-8+.
What are the key properties of 1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine?
1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine is sourced from PubChem (CID 23239568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).