(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride

C8H18ClNO — CID 68546414

IUPAC(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride
SMILESCC(C)(C)O[C@H]1CCNC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(2,3)10-7-4-5-9-6-7;/h7,9H,4-6H2,1-3H3;1H/t7-;/m0./s1
InChIKeyFZIWSCKEDNWENP-FJXQXJEOSA-N
MW179.69 g/mol
LogP1.59
Rot. Bonds1

About (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride

(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride (PubChem CID 68546414) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride
PubChem CID68546414
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride
SMILESCC(C)(C)O[C@H]1CCNC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(2,3)10-7-4-5-9-6-7;/h7,9H,4-6H2,1-3H3;1H/t7-;/m0./s1
InChIKeyFZIWSCKEDNWENP-FJXQXJEOSA-N
XLogP1.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride?
The IUPAC name of (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride (CID 68546414) is (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride.
What is the SMILES notation for (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride?
The canonical SMILES for (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride is CC(C)(C)O[C@H]1CCNC1.Cl.
What is the InChIKey of (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride?
The InChIKey is FZIWSCKEDNWENP-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-8(2,3)10-7-4-5-9-6-7;/h7,9H,4-6H2,1-3H3;1H/t7-;/m0./s1.
What are the key properties of (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride?
(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride has a molecular weight of 179.69 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 (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;hydrochloride is sourced from PubChem (CID 68546414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).