1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide

C10H14N2O2 — CID 154942807

IUPAC1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide
SMILESCC#CC(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C10H14N2O2/c1-3-5-9(13)12-7-4-6-8(12)10(14)11-2/h8H,4,6-7H2,1-2H3,(H,11,14)
InChIKeyQHOQBRCEKNIKPD-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.25
Rot. Bonds1

About 1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide

1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide (PubChem CID 154942807) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide
PubChem CID154942807
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide
SMILESCC#CC(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C10H14N2O2/c1-3-5-9(13)12-7-4-6-8(12)10(14)11-2/h8H,4,6-7H2,1-2H3,(H,11,14)
InChIKeyQHOQBRCEKNIKPD-UHFFFAOYSA-N
XLogP-0.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.25
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-but-2-ynoylpyrrolidine-2-carboxamide
CID 126990678
1-[(2R)-2-(methylamino)pyrrolidin-1-yl]but-2-yn-1-one
CID 166968902
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 71357643
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
1-but-2-enoyl-N-methylpyrrolidine-2-carboxamide
CID 78943698
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
CID 103515226
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
(2S)-N-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 93376645
(2S)-1-but-2-ynoyl-N,N'-dimethyl-N-[(Z)-2-(methylamino)ethenyl]pyrrolidine-2-carboximidamide
CID 163721507

Frequently Asked Questions

What is the IUPAC name of 1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide (CID 154942807) is 1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide is CC#CC(=O)N1CCCC1C(=O)NC.
What is the InChIKey of 1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide?
The InChIKey is QHOQBRCEKNIKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-5-9(13)12-7-4-6-8(12)10(14)11-2/h8H,4,6-7H2,1-2H3,(H,11,14).
What are the key properties of 1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide?
1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide has a molecular weight of 194.23 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-ynoyl-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 154942807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).