[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol

C8H17NO — CID 59055327

IUPAC[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol
SMILESCC[C@@H]1C[C@@H](CO)N(C)C1
InChIInChI=1S/C8H17NO/c1-3-7-4-8(6-10)9(2)5-7/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyNUWALXQTHWYZHA-SFYZADRCSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds2

About [(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol

[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol (PubChem CID 59055327) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol
PubChem CID59055327
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol
SMILESCC[C@@H]1C[C@@H](CO)N(C)C1
InChIInChI=1S/C8H17NO/c1-3-7-4-8(6-10)9(2)5-7/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyNUWALXQTHWYZHA-SFYZADRCSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol (CID 59055327) is [(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol is CC[C@@H]1C[C@@H](CO)N(C)C1.
What is the InChIKey of [(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is NUWALXQTHWYZHA-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-7-4-8(6-10)9(2)5-7/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of [(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol?
[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 59055327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).