(3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride

C9H20ClNO — CID 134690945

IUPAC(3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride
SMILESCC(C)CCO[C@@H]1CCNC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-8(2)4-6-11-9-3-5-10-7-9;/h8-10H,3-7H2,1-2H3;1H/t9-;/m1./s1
InChIKeyYOWLKUQPNJLSIW-SBSPUUFOSA-N
MW193.72 g/mol
LogP1.83
Rot. Bonds4

About (3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride

(3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride (PubChem CID 134690945) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is (3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride
PubChem CID134690945
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name(3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride
SMILESCC(C)CCO[C@@H]1CCNC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-8(2)4-6-11-9-3-5-10-7-9;/h8-10H,3-7H2,1-2H3;1H/t9-;/m1./s1
InChIKeyYOWLKUQPNJLSIW-SBSPUUFOSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride?
The IUPAC name of (3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride (CID 134690945) is (3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride.
What is the SMILES notation for (3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride?
The canonical SMILES for (3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride is CC(C)CCO[C@@H]1CCNC1.Cl.
What is the InChIKey of (3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride?
The InChIKey is YOWLKUQPNJLSIW-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-8(2)4-6-11-9-3-5-10-7-9;/h8-10H,3-7H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of (3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride?
(3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methylbutoxy)pyrrolidine;hydrochloride is sourced from PubChem (CID 134690945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).