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

C8H17NO — CID 55299896

IUPAC(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine
SMILESCC(C)(C)O[C@H]1CCNC1
InChIInChI=1S/C8H17NO/c1-8(2,3)10-7-4-5-9-6-7/h7,9H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyKUXRXZFYHVZKAN-ZETCQYMHSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds1

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

(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine (PubChem CID 55299896) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine
PubChem CID55299896
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine
SMILESCC(C)(C)O[C@H]1CCNC1
InChIInChI=1S/C8H17NO/c1-8(2,3)10-7-4-5-9-6-7/h7,9H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyKUXRXZFYHVZKAN-ZETCQYMHSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.16
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?
The IUPAC name of (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine (CID 55299896) is (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine.
What is the SMILES notation for (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine?
The canonical SMILES for (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine is CC(C)(C)O[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine?
The InChIKey is KUXRXZFYHVZKAN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,3)10-7-4-5-9-6-7/h7,9H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine?
(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine has a molecular weight of 143.23 g/mol, XLogP of 1.16, 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 is sourced from PubChem (CID 55299896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).