2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride

C11H20ClNO — CID 126845547

IUPAC2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride
SMILESC(=C/C1CCCN1)\C1CCOCC1.Cl
InChIInChI=1S/C11H19NO.ClH/c1-2-11(12-7-1)4-3-10-5-8-13-9-6-10;/h3-4,10-12H,1-2,5-9H2;1H/b4-3+;
InChIKeySKHKYTAZFMSYTN-BJILWQEISA-N
MW217.74 g/mol
LogP2.14
Rot. Bonds2

About 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride

2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride (PubChem CID 126845547) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride
PubChem CID126845547
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride
SMILESC(=C/C1CCCN1)\C1CCOCC1.Cl
InChIInChI=1S/C11H19NO.ClH/c1-2-11(12-7-1)4-3-10-5-8-13-9-6-10;/h3-4,10-12H,1-2,5-9H2;1H/b4-3+;
InChIKeySKHKYTAZFMSYTN-BJILWQEISA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride?
The IUPAC name of 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride (CID 126845547) is 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride?
The canonical SMILES for 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride is C(=C/C1CCCN1)\C1CCOCC1.Cl.
What is the InChIKey of 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride?
The InChIKey is SKHKYTAZFMSYTN-BJILWQEISA-N. The full InChI is InChI=1S/C11H19NO.ClH/c1-2-11(12-7-1)4-3-10-5-8-13-9-6-10;/h3-4,10-12H,1-2,5-9H2;1H/b4-3+;.
What are the key properties of 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride?
2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride has a molecular weight of 217.74 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 126845547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).