[(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol

C9H19NO — CID 138468400

IUPAC[(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol
SMILESCC[C@@]1(C)CNC[C@@]1(C)CO
InChIInChI=1S/C9H19NO/c1-4-8(2)5-10-6-9(8,3)7-11/h10-11H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyKDPKJQAFDLJWNK-IUCAKERBSA-N
MW157.26 g/mol
LogP1.00
Rot. Bonds2

About [(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol

[(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol (PubChem CID 138468400) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol
PubChem CID138468400
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol
SMILESCC[C@@]1(C)CNC[C@@]1(C)CO
InChIInChI=1S/C9H19NO/c1-4-8(2)5-10-6-9(8,3)7-11/h10-11H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyKDPKJQAFDLJWNK-IUCAKERBSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol (CID 138468400) is [(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol is CC[C@@]1(C)CNC[C@@]1(C)CO.
What is the InChIKey of [(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol?
The InChIKey is KDPKJQAFDLJWNK-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-8(2)5-10-6-9(8,3)7-11/h10-11H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of [(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol?
[(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol has a molecular weight of 157.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-ethyl-3,4-dimethylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 138468400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).