(3S,4S)-3-methoxy-1,4-dimethylpyrrolidine

C7H15NO — CID 139364384

IUPAC(3S,4S)-3-methoxy-1,4-dimethylpyrrolidine
SMILESCO[C@@H]1CN(C)C[C@@H]1C
InChIInChI=1S/C7H15NO/c1-6-4-8(2)5-7(6)9-3/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyRBRIVPKBTYDNPW-NKWVEPMBSA-N
MW129.20 g/mol
LogP0.58
Rot. Bonds1

About (3S,4S)-3-methoxy-1,4-dimethylpyrrolidine

(3S,4S)-3-methoxy-1,4-dimethylpyrrolidine (PubChem CID 139364384) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3S,4S)-3-methoxy-1,4-dimethylpyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3-methoxy-1,4-dimethylpyrrolidine
PubChem CID139364384
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3S,4S)-3-methoxy-1,4-dimethylpyrrolidine
SMILESCO[C@@H]1CN(C)C[C@@H]1C
InChIInChI=1S/C7H15NO/c1-6-4-8(2)5-7(6)9-3/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyRBRIVPKBTYDNPW-NKWVEPMBSA-N
XLogP0.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methoxy-1,4-dimethylpyrrolidine?
The IUPAC name of (3S,4S)-3-methoxy-1,4-dimethylpyrrolidine (CID 139364384) is (3S,4S)-3-methoxy-1,4-dimethylpyrrolidine.
What is the SMILES notation for (3S,4S)-3-methoxy-1,4-dimethylpyrrolidine?
The canonical SMILES for (3S,4S)-3-methoxy-1,4-dimethylpyrrolidine is CO[C@@H]1CN(C)C[C@@H]1C.
What is the InChIKey of (3S,4S)-3-methoxy-1,4-dimethylpyrrolidine?
The InChIKey is RBRIVPKBTYDNPW-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-4-8(2)5-7(6)9-3/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (3S,4S)-3-methoxy-1,4-dimethylpyrrolidine?
(3S,4S)-3-methoxy-1,4-dimethylpyrrolidine has a molecular weight of 129.20 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methoxy-1,4-dimethylpyrrolidine is sourced from PubChem (CID 139364384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).