1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one

C11H18N2O2 — CID 19043608

IUPAC1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one
SMILESCN(C)CC#CCN1CCC(C)(O)C1=O
InChIInChI=1S/C11H18N2O2/c1-11(15)6-9-13(10(11)14)8-5-4-7-12(2)3/h15H,6-9H2,1-3H3
InChIKeyVCHIPTZSYNCGIP-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.47
Rot. Bonds2

About 1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one

1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one (PubChem CID 19043608) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one
PubChem CID19043608
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one
SMILESCN(C)CC#CCN1CCC(C)(O)C1=O
InChIInChI=1S/C11H18N2O2/c1-11(15)6-9-13(10(11)14)8-5-4-7-12(2)3/h15H,6-9H2,1-3H3
InChIKeyVCHIPTZSYNCGIP-UHFFFAOYSA-N
XLogP-0.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 15541572
3-(3,3-Dimethylbut-1-ynyl)-4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 117916099
3-(3,3-Dimethylbut-1-ynyl)-4-fluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 117916101
4-Fluoro-3-hydroxy-1-methyl-3-prop-1-ynylpyrrolidin-2-one
CID 117919177
4,4-Difluoro-3-hydroxy-1-methyl-3-prop-1-ynylpyrrolidin-2-one
CID 117919181
3-But-1-ynyl-4-fluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 117937940
3-But-1-ynyl-4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 117938008
4,4-Difluoro-3-hydroxy-1-methyl-3-(3-methylbut-1-ynyl)pyrrolidin-2-one
CID 121480129
(2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 11206032
(3S)-1-[4-(dimethylamino)but-2-ynyl]-3-hydroxypyrrolidin-2-one
CID 15086777
(R)-1-[4-(dimethylamino)-2-butynyl]-3-hydroxy-2-pyrrolidinone
CID 15086778
3-Hydroxy-3-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 18960508

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one?
The IUPAC name of 1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one (CID 19043608) is 1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one?
The canonical SMILES for 1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one is CN(C)CC#CCN1CCC(C)(O)C1=O.
What is the InChIKey of 1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one?
The InChIKey is VCHIPTZSYNCGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(15)6-9-13(10(11)14)8-5-4-7-12(2)3/h15H,6-9H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one?
1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one has a molecular weight of 210.28 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one is sourced from PubChem (CID 19043608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).