1-cyclobutyl-3-ethynylpyrrolidin-3-ol

C10H15NO — CID 131223909

IUPAC1-cyclobutyl-3-ethynylpyrrolidin-3-ol
SMILESC#CC1(O)CCN(C2CCC2)C1
InChIInChI=1S/C10H15NO/c1-2-10(12)6-7-11(8-10)9-4-3-5-9/h1,9,12H,3-8H2
InChIKeyFANQJLFBPPZPJB-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.61
Rot. Bonds1

About 1-cyclobutyl-3-ethynylpyrrolidin-3-ol

1-cyclobutyl-3-ethynylpyrrolidin-3-ol (PubChem CID 131223909) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-cyclobutyl-3-ethynylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclobutyl-3-ethynylpyrrolidin-3-ol
PubChem CID131223909
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-cyclobutyl-3-ethynylpyrrolidin-3-ol
SMILESC#CC1(O)CCN(C2CCC2)C1
InChIInChI=1S/C10H15NO/c1-2-10(12)6-7-11(8-10)9-4-3-5-9/h1,9,12H,3-8H2
InChIKeyFANQJLFBPPZPJB-UHFFFAOYSA-N
XLogP0.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.61
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

4-(4-ethynyl-4-hydroxypiperidin-1-yl)piperidine-1-carboxylic acid
CID 174231796
3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol
CID 115013788
6-cyclobutyl-2-propan-2-yl-6-azaspiro[3.4]octane
CID 170739996
2-ethynyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol
CID 175858950
1-cyclobutyl-4,4-dimethylpiperidine
CID 70344031
1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid
CID 115022244
[(5S,8S)-2-cyclopropyl-2-azaspiro[4.4]nonan-8-yl]methanol
CID 97169512
1-cyclobutyl-4,4-difluoropiperidine
CID 91599149
1-cyclohexyl-3,3-difluoropyrrolidine
CID 117007575
(6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanamine
CID 71649148
(6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol
CID 71650240
2-hydroxy-3,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylic acid
CID 83906916

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-ethynylpyrrolidin-3-ol?
The IUPAC name of 1-cyclobutyl-3-ethynylpyrrolidin-3-ol (CID 131223909) is 1-cyclobutyl-3-ethynylpyrrolidin-3-ol.
What is the SMILES notation for 1-cyclobutyl-3-ethynylpyrrolidin-3-ol?
The canonical SMILES for 1-cyclobutyl-3-ethynylpyrrolidin-3-ol is C#CC1(O)CCN(C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-3-ethynylpyrrolidin-3-ol?
The InChIKey is FANQJLFBPPZPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-10(12)6-7-11(8-10)9-4-3-5-9/h1,9,12H,3-8H2.
What are the key properties of 1-cyclobutyl-3-ethynylpyrrolidin-3-ol?
1-cyclobutyl-3-ethynylpyrrolidin-3-ol has a molecular weight of 165.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-ethynylpyrrolidin-3-ol is sourced from PubChem (CID 131223909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).