(1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol

C7H15NO — CID 96732596

IUPAC(1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCN(C)C1
InChIInChI=1S/C7H15NO/c1-6(9)7-3-4-8(2)5-7/h6-7,9H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyKXZJRFBELXXWSR-RQJHMYQMSA-N
MW129.20 g/mol
LogP0.32
Rot. Bonds1

About (1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol

(1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol (PubChem CID 96732596) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol
PubChem CID96732596
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCN(C)C1
InChIInChI=1S/C7H15NO/c1-6(9)7-3-4-8(2)5-7/h6-7,9H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyKXZJRFBELXXWSR-RQJHMYQMSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol?
The IUPAC name of (1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol (CID 96732596) is (1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol?
The canonical SMILES for (1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol is C[C@@H](O)[C@H]1CCN(C)C1.
What is the InChIKey of (1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol?
The InChIKey is KXZJRFBELXXWSR-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(9)7-3-4-8(2)5-7/h6-7,9H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol?
(1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol has a molecular weight of 129.20 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3S)-1-methylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 96732596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).