(2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine

C10H21NO — CID 162736758

IUPAC(2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCC[C@@H]1CCCN1C
InChIInChI=1S/C10H21NO/c1-9(2)12-8-6-10-5-4-7-11(10)3/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyYCODLESHHLJCFX-JTQLQIEISA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds4

About (2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine

(2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine (PubChem CID 162736758) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine
PubChem CID162736758
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCC[C@@H]1CCCN1C
InChIInChI=1S/C10H21NO/c1-9(2)12-8-6-10-5-4-7-11(10)3/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyYCODLESHHLJCFX-JTQLQIEISA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine (CID 162736758) is (2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine is CC(C)OCC[C@@H]1CCCN1C.
What is the InChIKey of (2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine?
The InChIKey is YCODLESHHLJCFX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)12-8-6-10-5-4-7-11(10)3/h9-10H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine?
(2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(2-propan-2-yloxyethyl)pyrrolidine is sourced from PubChem (CID 162736758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).