(2S)-1-pyrrolidin-1-ylpropan-2-ol

C7H15NO — CID 12767869

IUPAC(2S)-1-pyrrolidin-1-ylpropan-2-ol
SMILESC[C@H](O)CN1CCCC1
InChIInChI=1S/C7H15NO/c1-7(9)6-8-4-2-3-5-8/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyBPYANEJZLUMJNA-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.46
Rot. Bonds2

About (2S)-1-pyrrolidin-1-ylpropan-2-ol

(2S)-1-pyrrolidin-1-ylpropan-2-ol (PubChem CID 12767869) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2S)-1-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-pyrrolidin-1-ylpropan-2-ol
PubChem CID12767869
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2S)-1-pyrrolidin-1-ylpropan-2-ol
SMILESC[C@H](O)CN1CCCC1
InChIInChI=1S/C7H15NO/c1-7(9)6-8-4-2-3-5-8/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyBPYANEJZLUMJNA-ZETCQYMHSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-pyrrolidin-1-ylpropan-2-ol (CID 12767869) is (2S)-1-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-pyrrolidin-1-ylpropan-2-ol is C[C@H](O)CN1CCCC1.
What is the InChIKey of (2S)-1-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is BPYANEJZLUMJNA-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(9)6-8-4-2-3-5-8/h7,9H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-pyrrolidin-1-ylpropan-2-ol?
(2S)-1-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 12767869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).