3-(2-methoxy-2-methylpropyl)pyrrolidine

C9H19NO — CID 69032023

IUPAC3-(2-methoxy-2-methylpropyl)pyrrolidine
SMILESCOC(C)(C)CC1CCNC1
InChIInChI=1S/C9H19NO/c1-9(2,11-3)6-8-4-5-10-7-8/h8,10H,4-7H2,1-3H3
InChIKeyKLZQUPGXKQDNTR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds3

About 3-(2-methoxy-2-methylpropyl)pyrrolidine

3-(2-methoxy-2-methylpropyl)pyrrolidine (PubChem CID 69032023) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(2-methoxy-2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-methoxy-2-methylpropyl)pyrrolidine
PubChem CID69032023
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-(2-methoxy-2-methylpropyl)pyrrolidine
SMILESCOC(C)(C)CC1CCNC1
InChIInChI=1S/C9H19NO/c1-9(2,11-3)6-8-4-5-10-7-8/h8,10H,4-7H2,1-3H3
InChIKeyKLZQUPGXKQDNTR-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-2-methylpropyl)pyrrolidine?
The IUPAC name of 3-(2-methoxy-2-methylpropyl)pyrrolidine (CID 69032023) is 3-(2-methoxy-2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-(2-methoxy-2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-(2-methoxy-2-methylpropyl)pyrrolidine is COC(C)(C)CC1CCNC1.
What is the InChIKey of 3-(2-methoxy-2-methylpropyl)pyrrolidine?
The InChIKey is KLZQUPGXKQDNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,11-3)6-8-4-5-10-7-8/h8,10H,4-7H2,1-3H3.
What are the key properties of 3-(2-methoxy-2-methylpropyl)pyrrolidine?
3-(2-methoxy-2-methylpropyl)pyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-2-methylpropyl)pyrrolidine is sourced from PubChem (CID 69032023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).