3-(methoxymethyl)-2-propan-2-ylpyrrolidine

C9H19NO — CID 105430787

IUPAC3-(methoxymethyl)-2-propan-2-ylpyrrolidine
SMILESCOCC1CCNC1C(C)C
InChIInChI=1S/C9H19NO/c1-7(2)9-8(6-11-3)4-5-10-9/h7-10H,4-6H2,1-3H3
InChIKeyZPJHKVLUHOZVBD-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.27
Rot. Bonds3

About 3-(methoxymethyl)-2-propan-2-ylpyrrolidine

3-(methoxymethyl)-2-propan-2-ylpyrrolidine (PubChem CID 105430787) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(methoxymethyl)-2-propan-2-ylpyrrolidine
PubChem CID105430787
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-(methoxymethyl)-2-propan-2-ylpyrrolidine
SMILESCOCC1CCNC1C(C)C
InChIInChI=1S/C9H19NO/c1-7(2)9-8(6-11-3)4-5-10-9/h7-10H,4-6H2,1-3H3
InChIKeyZPJHKVLUHOZVBD-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-propan-2-ylpyrrolidine?
The IUPAC name of 3-(methoxymethyl)-2-propan-2-ylpyrrolidine (CID 105430787) is 3-(methoxymethyl)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(methoxymethyl)-2-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(methoxymethyl)-2-propan-2-ylpyrrolidine is COCC1CCNC1C(C)C.
What is the InChIKey of 3-(methoxymethyl)-2-propan-2-ylpyrrolidine?
The InChIKey is ZPJHKVLUHOZVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)9-8(6-11-3)4-5-10-9/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-2-propan-2-ylpyrrolidine?
3-(methoxymethyl)-2-propan-2-ylpyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 105430787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).