(1-but-3-ynylpyrrolidin-3-yl)methanol

C9H15NO — CID 62372268

IUPAC(1-but-3-ynylpyrrolidin-3-yl)methanol
SMILESC#CCCN1CCC(CO)C1
InChIInChI=1S/C9H15NO/c1-2-3-5-10-6-4-9(7-10)8-11/h1,9,11H,3-8H2
InChIKeyJXGYKIVHZXHMCD-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.32
Rot. Bonds3

About (1-but-3-ynylpyrrolidin-3-yl)methanol

(1-but-3-ynylpyrrolidin-3-yl)methanol (PubChem CID 62372268) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is (1-but-3-ynylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-but-3-ynylpyrrolidin-3-yl)methanol
PubChem CID62372268
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name(1-but-3-ynylpyrrolidin-3-yl)methanol
SMILESC#CCCN1CCC(CO)C1
InChIInChI=1S/C9H15NO/c1-2-3-5-10-6-4-9(7-10)8-11/h1,9,11H,3-8H2
InChIKeyJXGYKIVHZXHMCD-UHFFFAOYSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.32
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-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 53211509
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63656638
(1-prop-2-ynylpiperidin-3-yl)methanol
CID 18616526
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
CID 43133161
1-but-3-ynyl-3-ethylpiperidin-4-ol
CID 114511006
1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine
CID 61204024
[(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol
CID 124679316
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
1-but-3-ynylazetidin-3-amine
CID 65249733
5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one
CID 112626363

Frequently Asked Questions

What is the IUPAC name of (1-but-3-ynylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-but-3-ynylpyrrolidin-3-yl)methanol (CID 62372268) is (1-but-3-ynylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-but-3-ynylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-but-3-ynylpyrrolidin-3-yl)methanol is C#CCCN1CCC(CO)C1.
What is the InChIKey of (1-but-3-ynylpyrrolidin-3-yl)methanol?
The InChIKey is JXGYKIVHZXHMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-5-10-6-4-9(7-10)8-11/h1,9,11H,3-8H2.
What are the key properties of (1-but-3-ynylpyrrolidin-3-yl)methanol?
(1-but-3-ynylpyrrolidin-3-yl)methanol has a molecular weight of 153.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-ynylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 62372268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).