5-pyrrolidin-1-ylpent-3-yn-2-ol

C9H15NO — CID 3480981

IUPAC5-pyrrolidin-1-ylpent-3-yn-2-ol
SMILESCC(O)C#CCN1CCCC1
InChIInChI=1S/C9H15NO/c1-9(11)5-4-8-10-6-2-3-7-10/h9,11H,2-3,6-8H2,1H3
InChIKeyKTTFGJDKIXTHDT-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.47
Rot. Bonds1

About 5-pyrrolidin-1-ylpent-3-yn-2-ol

5-pyrrolidin-1-ylpent-3-yn-2-ol (PubChem CID 3480981) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylpent-3-yn-2-ol.

Molecular Properties

Compound Name5-pyrrolidin-1-ylpent-3-yn-2-ol
PubChem CID3480981
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-pyrrolidin-1-ylpent-3-yn-2-ol
SMILESCC(O)C#CCN1CCCC1
InChIInChI=1S/C9H15NO/c1-9(11)5-4-8-10-6-2-3-7-10/h9,11H,2-3,6-8H2,1H3
InChIKeyKTTFGJDKIXTHDT-UHFFFAOYSA-N
XLogP0.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.47
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

1,1,3-trimethyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)urea
CID 71341658
1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol
CID 2840251
2-methyl-6-morpholin-4-ylhex-4-yn-3-ol
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1-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one
CID 15669678
oxalate;1-[(2R)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one
CID 21154029
3-pyrrolidin-1-ylprop-1-ynylphosphane
CID 142317768
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
(2R)-6-morpholin-4-ylhex-4-yn-2-ol
CID 7272443
4-pyrrolidin-1-ylbut-2-ynamide
CID 154108122
N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine
CID 58949437
5-piperidin-1-ylpent-3-ynoic acid
CID 115015881
2-methyl-3-phenyl-6-piperidin-1-ylhex-4-yn-3-ol
CID 3147113

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylpent-3-yn-2-ol?
The IUPAC name of 5-pyrrolidin-1-ylpent-3-yn-2-ol (CID 3480981) is 5-pyrrolidin-1-ylpent-3-yn-2-ol.
What is the SMILES notation for 5-pyrrolidin-1-ylpent-3-yn-2-ol?
The canonical SMILES for 5-pyrrolidin-1-ylpent-3-yn-2-ol is CC(O)C#CCN1CCCC1.
What is the InChIKey of 5-pyrrolidin-1-ylpent-3-yn-2-ol?
The InChIKey is KTTFGJDKIXTHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(11)5-4-8-10-6-2-3-7-10/h9,11H,2-3,6-8H2,1H3.
What are the key properties of 5-pyrrolidin-1-ylpent-3-yn-2-ol?
5-pyrrolidin-1-ylpent-3-yn-2-ol has a molecular weight of 153.22 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylpent-3-yn-2-ol is sourced from PubChem (CID 3480981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).