(2S)-2-(propan-2-yloxymethyl)pyrrolidine

C8H17NO — CID 28802468

IUPAC(2S)-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@@H]1CCCN1
InChIInChI=1S/C8H17NO/c1-7(2)10-6-8-4-3-5-9-8/h7-9H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyXSIXKZCGXXPTET-QMMMGPOBSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds3

About (2S)-2-(propan-2-yloxymethyl)pyrrolidine

(2S)-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 28802468) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S)-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID28802468
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S)-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@@H]1CCCN1
InChIInChI=1S/C8H17NO/c1-7(2)10-6-8-4-3-5-9-8/h7-9H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyXSIXKZCGXXPTET-QMMMGPOBSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

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(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
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(2R)-2-(3-propan-2-yloxypropyl)pyrrolidine
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(2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine
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(2S)-2-(2-propan-2-yloxyethyl)piperidine
CID 28802472
2-(pentan-2-yloxymethyl)piperidine
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(2S)-2-(1-iodobutoxymethyl)pyrrolidine
CID 121274934
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
(2S)-2-(methylperoxymethyl)pyrrolidine
CID 88881099
(2R)-2-[2-(2-methylpropoxy)ethoxymethyl]pyrrolidine
CID 106447713
(2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine
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[(2S)-pyrrolidin-2-yl]methoxysilane
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(propan-2-yloxymethyl)pyrrolidine (CID 28802468) is (2S)-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is XSIXKZCGXXPTET-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)10-6-8-4-3-5-9-8/h7-9H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-(propan-2-yloxymethyl)pyrrolidine?
(2S)-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 143.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 28802468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).