1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

C9H19NO — CID 22960541

IUPAC1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(C)(C)OCN1CCCC1
InChIInChI=1S/C9H19NO/c1-9(2,3)11-8-10-6-4-5-7-10/h4-8H2,1-3H3
InChIKeyHDTSBHNRBDOBPH-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.85
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 22960541) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID22960541
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(C)(C)OCN1CCCC1
InChIInChI=1S/C9H19NO/c1-9(2,3)11-8-10-6-4-5-7-10/h4-8H2,1-3H3
InChIKeyHDTSBHNRBDOBPH-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 22960541) is 1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is CC(C)(C)OCN1CCCC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is HDTSBHNRBDOBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)11-8-10-6-4-5-7-10/h4-8H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 22960541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).