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

C10H20ClNO — CID 154808050

IUPAC2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride
SMILESCC1(C2CCOCC2)CCCN1.Cl
InChIInChI=1S/C10H19NO.ClH/c1-10(5-2-6-11-10)9-3-7-12-8-4-9;/h9,11H,2-8H2,1H3;1H
InChIKeyOSNKHHXHNFVFRE-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.98
Rot. Bonds1

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

2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride (PubChem CID 154808050) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride
PubChem CID154808050
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride
SMILESCC1(C2CCOCC2)CCCN1.Cl
InChIInChI=1S/C10H19NO.ClH/c1-10(5-2-6-11-10)9-3-7-12-8-4-9;/h9,11H,2-8H2,1H3;1H
InChIKeyOSNKHHXHNFVFRE-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride?
The IUPAC name of 2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride (CID 154808050) is 2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride is CC1(C2CCOCC2)CCCN1.Cl.
What is the InChIKey of 2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride?
The InChIKey is OSNKHHXHNFVFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c1-10(5-2-6-11-10)9-3-7-12-8-4-9;/h9,11H,2-8H2,1H3;1H.
What are the key properties of 2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride?
2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride is sourced from PubChem (CID 154808050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).