(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

C12H25NO — CID 147300512

IUPAC(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESC[C@H]1CN(C)C(C)(COC(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-10-7-12(5,13(6)8-10)9-14-11(2,3)4/h10H,7-9H2,1-6H3/t10-,12?/m1/s1
InChIKeyCVZIZCNIQQXIFX-RWANSRKNSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds2

About (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 147300512) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID147300512
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESC[C@H]1CN(C)C(C)(COC(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-10-7-12(5,13(6)8-10)9-14-11(2,3)4/h10H,7-9H2,1-6H3/t10-,12?/m1/s1
InChIKeyCVZIZCNIQQXIFX-RWANSRKNSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 147300512) is (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is C[C@H]1CN(C)C(C)(COC(C)(C)C)C1.
What is the InChIKey of (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is CVZIZCNIQQXIFX-RWANSRKNSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-7-12(5,13(6)8-10)9-14-11(2,3)4/h10H,7-9H2,1-6H3/t10-,12?/m1/s1.
What are the key properties of (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 147300512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).