(3S)-3-methoxy-3-methylpyrrolidine

C6H13NO — CID 98774544

IUPAC(3S)-3-methoxy-3-methylpyrrolidine
SMILESCO[C@@]1(C)CCNC1
InChIInChI=1S/C6H13NO/c1-6(8-2)3-4-7-5-6/h7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyUQSUXKPECVWYHC-LURJTMIESA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds1

About (3S)-3-methoxy-3-methylpyrrolidine

(3S)-3-methoxy-3-methylpyrrolidine (PubChem CID 98774544) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (3S)-3-methoxy-3-methylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-methoxy-3-methylpyrrolidine
PubChem CID98774544
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(3S)-3-methoxy-3-methylpyrrolidine
SMILESCO[C@@]1(C)CCNC1
InChIInChI=1S/C6H13NO/c1-6(8-2)3-4-7-5-6/h7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyUQSUXKPECVWYHC-LURJTMIESA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-3-methylpyrrolidine?
The IUPAC name of (3S)-3-methoxy-3-methylpyrrolidine (CID 98774544) is (3S)-3-methoxy-3-methylpyrrolidine.
What is the SMILES notation for (3S)-3-methoxy-3-methylpyrrolidine?
The canonical SMILES for (3S)-3-methoxy-3-methylpyrrolidine is CO[C@@]1(C)CCNC1.
What is the InChIKey of (3S)-3-methoxy-3-methylpyrrolidine?
The InChIKey is UQSUXKPECVWYHC-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO/c1-6(8-2)3-4-7-5-6/h7H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-3-methoxy-3-methylpyrrolidine?
(3S)-3-methoxy-3-methylpyrrolidine has a molecular weight of 115.18 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-3-methylpyrrolidine is sourced from PubChem (CID 98774544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).