2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol

C8H13NO — CID 137368500

IUPAC2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol
SMILESC#CC(C)(O)[C@@H]1CCCN1
InChIInChI=1S/C8H13NO/c1-3-8(2,10)7-5-4-6-9-7/h1,7,9-10H,4-6H2,2H3/t7-,8?/m0/s1
InChIKeyOFSCJUKBVHDLQK-JAMMHHFISA-N
MW139.20 g/mol
LogP0.12
Rot. Bonds1

About 2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol

2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol (PubChem CID 137368500) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol
PubChem CID137368500
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol
SMILESC#CC(C)(O)[C@@H]1CCCN1
InChIInChI=1S/C8H13NO/c1-3-8(2,10)7-5-4-6-9-7/h1,7,9-10H,4-6H2,2H3/t7-,8?/m0/s1
InChIKeyOFSCJUKBVHDLQK-JAMMHHFISA-N
XLogP0.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol;sulfane
CID 167598159
2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175
1-chloro-1-pyrrolidin-2-ylethanol
CID 126542181
(2R)-3-methyl-2-[(2S)-pyrrolidin-2-yl]butan-2-ol
CID 138485633
2-tert-butylpyrrolidine;methane
CID 174978961
4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol
CID 130920740
1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile
CID 130900729
2-tert-butylpyrrolidine;2-methylpropane
CID 143359861
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 167396115
2-[(2R)-azetidin-2-yl]propan-2-ol
CID 135393026
(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine
CID 176610737

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol (CID 137368500) is 2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol is C#CC(C)(O)[C@@H]1CCCN1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol?
The InChIKey is OFSCJUKBVHDLQK-JAMMHHFISA-N. The full InChI is InChI=1S/C8H13NO/c1-3-8(2,10)7-5-4-6-9-7/h1,7,9-10H,4-6H2,2H3/t7-,8?/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol?
2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol has a molecular weight of 139.20 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol is sourced from PubChem (CID 137368500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).