1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol

C11H19NO — CID 115758860

IUPAC1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol
SMILESCC#CCN1CCCC1CC(C)O
InChIInChI=1S/C11H19NO/c1-3-4-7-12-8-5-6-11(12)9-10(2)13/h10-11,13H,5-9H2,1-2H3
InChIKeyKUUZARHHSATNBV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.25
Rot. Bonds3

About 1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol

1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol (PubChem CID 115758860) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol
PubChem CID115758860
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol
SMILESCC#CCN1CCCC1CC(C)O
InChIInChI=1S/C11H19NO/c1-3-4-7-12-8-5-6-11(12)9-10(2)13/h10-11,13H,5-9H2,1-2H3
InChIKeyKUUZARHHSATNBV-UHFFFAOYSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.25
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-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758768
1-[1-(2-cyclopropylethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758812
2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine
CID 131200239
1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758742
1-[1-(cyclobutylmethyl)piperidin-2-yl]propan-2-ol
CID 114338188
1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol
CID 114337983
1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol
CID 114338898
1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol
CID 114338597
1-[1-(3-ethylsulfanylpropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758845
(2R)-1-but-2-ynyl-2-methylpiperidine
CID 142317650

Frequently Asked Questions

What is the IUPAC name of 1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol?
The IUPAC name of 1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol (CID 115758860) is 1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol is CC#CCN1CCCC1CC(C)O.
What is the InChIKey of 1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol?
The InChIKey is KUUZARHHSATNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-7-12-8-5-6-11(12)9-10(2)13/h10-11,13H,5-9H2,1-2H3.
What are the key properties of 1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol?
1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol has a molecular weight of 181.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol is sourced from PubChem (CID 115758860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).