[1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol

C8H13NO — CID 18616423

IUPAC(1-prop-2-ynylpyrrolidin-2-yl)methanol
SMILESC#CCN1CCCC1CO
InChIInChI=1S/C8H13NO/c1-2-5-9-6-3-4-8(9)7-10/h1,8,10H,3-7H2
InChIKeyMFSYXXIWVDCEDQ-UHFFFAOYSA-N
MW139.19 g/mol
LogP0.20
Rot. Bonds2

About [1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol

[1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol (PubChem CID 18616423) has the molecular formula C8H13NO and a molecular weight of 139.19 g/mol. Its IUPAC name is (1-prop-2-ynylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name[1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol
PubChem CID18616423
Molecular FormulaC8H13NO
Molecular Weight139.19 g/mol
Exact Mass139.10
IUPAC Name(1-prop-2-ynylpyrrolidin-2-yl)methanol
SMILESC#CCN1CCCC1CO
InChIInChI=1S/C8H13NO/c1-2-5-9-6-3-4-8(9)7-10/h1,8,10H,3-7H2
InChIKeyMFSYXXIWVDCEDQ-UHFFFAOYSA-N
XLogP0.20
TPSA23.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity147

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.19
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-2-pyrrolidinemethanol
CID 97836
(2S)-1-Methyl-2-pyrrolidinemethanol
CID 643492
[(2S)-1-Ethyl-2-Pyrrolidinyl]Methanol
CID 952319
((2R)-1-methylpyrrolidin-2-yl)methanol
CID 11007868
((2R)-1-ethylpyrrolidin-2-yl)methanol
CID 952320
(1-Propylpyrrolidin-2-yl)methanol
CID 23383549
(1-Ethylpyrrolidin-2-yl)methanol
CID 259087
3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 11435061
[(2S)-1-(2,2-Dimethylpropyl)pyrrolidin-2-yl]methanol
CID 13425763
[(2S)-1-prop-2-ynylpyrrolidin-2-yl]methanol
CID 52177794
Bis(hydroxymethyl)pyrrolidine
CID 53966930
(2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine
CID 57110961

Frequently Asked Questions

What is the IUPAC name of [1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol (CID 18616423) is (1-prop-2-ynylpyrrolidin-2-yl)methanol.
What is the SMILES notation for [1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol is C#CCN1CCCC1CO.
What is the InChIKey of [1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol?
The InChIKey is MFSYXXIWVDCEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-5-9-6-3-4-8(9)7-10/h1,8,10H,3-7H2.
What are the key properties of [1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol?
[1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol has a molecular weight of 139.19 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 18616423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).