2-(oxan-4-yl)pyrrolidine;hydrochloride

C9H18ClNO — CID 71758237

IUPAC2-(oxan-4-yl)pyrrolidine;hydrochloride
SMILESC1CNC(C2CCOCC2)C1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-9(10-5-1)8-3-6-11-7-4-8;/h8-10H,1-7H2;1H
InChIKeyVPXLDMDJYDOPQC-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.59
Rot. Bonds1

About 2-(oxan-4-yl)pyrrolidine;hydrochloride

2-(oxan-4-yl)pyrrolidine;hydrochloride (PubChem CID 71758237) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-(oxan-4-yl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(oxan-4-yl)pyrrolidine;hydrochloride
PubChem CID71758237
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-(oxan-4-yl)pyrrolidine;hydrochloride
SMILESC1CNC(C2CCOCC2)C1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-9(10-5-1)8-3-6-11-7-4-8;/h8-10H,1-7H2;1H
InChIKeyVPXLDMDJYDOPQC-UHFFFAOYSA-N
XLogP1.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(oxan-4-yl)pyrrolidine;hydrochloride (CID 71758237) is 2-(oxan-4-yl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(oxan-4-yl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(oxan-4-yl)pyrrolidine;hydrochloride is C1CNC(C2CCOCC2)C1.Cl.
What is the InChIKey of 2-(oxan-4-yl)pyrrolidine;hydrochloride?
The InChIKey is VPXLDMDJYDOPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-2-9(10-5-1)8-3-6-11-7-4-8;/h8-10H,1-7H2;1H.
What are the key properties of 2-(oxan-4-yl)pyrrolidine;hydrochloride?
2-(oxan-4-yl)pyrrolidine;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)pyrrolidine;hydrochloride is sourced from PubChem (CID 71758237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).