(3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine

C9H19NO — CID 126655199

IUPAC(3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine
SMILESCO[C@@]1(C)CCN(C(C)C)C1
InChIInChI=1S/C9H19NO/c1-8(2)10-6-5-9(3,7-10)11-4/h8H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyLBDQWWHRFPSZJV-VIFPVBQESA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds2

About (3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine

(3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine (PubChem CID 126655199) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine
PubChem CID126655199
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine
SMILESCO[C@@]1(C)CCN(C(C)C)C1
InChIInChI=1S/C9H19NO/c1-8(2)10-6-5-9(3,7-10)11-4/h8H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyLBDQWWHRFPSZJV-VIFPVBQESA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of (3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine (CID 126655199) is (3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for (3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine is CO[C@@]1(C)CCN(C(C)C)C1.
What is the InChIKey of (3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is LBDQWWHRFPSZJV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)10-6-5-9(3,7-10)11-4/h8H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine?
(3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 126655199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).