2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol

C8H17NO — CID 55299039

IUPAC2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol
SMILESC[C@@H]1NCC[C@@H]1C(C)(C)O
InChIInChI=1S/C8H17NO/c1-6-7(4-5-9-6)8(2,3)10/h6-7,9-10H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyIPANDBVFRFYUKP-BQBZGAKWSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds1

About 2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol

2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol (PubChem CID 55299039) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol
PubChem CID55299039
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol
SMILESC[C@@H]1NCC[C@@H]1C(C)(C)O
InChIInChI=1S/C8H17NO/c1-6-7(4-5-9-6)8(2,3)10/h6-7,9-10H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyIPANDBVFRFYUKP-BQBZGAKWSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol (CID 55299039) is 2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol is C[C@@H]1NCC[C@@H]1C(C)(C)O.
What is the InChIKey of 2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol?
The InChIKey is IPANDBVFRFYUKP-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-7(4-5-9-6)8(2,3)10/h6-7,9-10H,4-5H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of 2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol?
2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-2-methylpyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 55299039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).