acetylene;N-methylpropanamide;1-methylpyrrolidine

C11H22N2O — CID 142970121

IUPACacetylene;N-methylpropanamide;1-methylpyrrolidine
SMILESC#C.CCC(=O)NC.CN1CCCC1
InChIInChI=1S/C5H11N.C4H9NO.C2H2/c1-6-4-2-3-5-6;1-3-4(6)5-2;1-2/h2-5H2,1H3;3H2,1-2H3,(H,5,6);1-2H
InChIKeyGISPIEIHRRFTNW-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.10
Rot. Bonds1

About acetylene;N-methylpropanamide;1-methylpyrrolidine

acetylene;N-methylpropanamide;1-methylpyrrolidine (PubChem CID 142970121) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is acetylene;N-methylpropanamide;1-methylpyrrolidine.

Molecular Properties

Compound Nameacetylene;N-methylpropanamide;1-methylpyrrolidine
PubChem CID142970121
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Nameacetylene;N-methylpropanamide;1-methylpyrrolidine
SMILESC#C.CCC(=O)NC.CN1CCCC1
InChIInChI=1S/C5H11N.C4H9NO.C2H2/c1-6-4-2-3-5-6;1-3-4(6)5-2;1-2/h2-5H2,1H3;3H2,1-2H3,(H,5,6);1-2H
InChIKeyGISPIEIHRRFTNW-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.10
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

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N-acetylacetamide;1-methylpyrrolidine
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N-methyl-3-pyrrolidin-1-ylpropanamide
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CID 158941313
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methyl acetate;1-methylazepane
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N-methyl-2-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of acetylene;N-methylpropanamide;1-methylpyrrolidine?
The IUPAC name of acetylene;N-methylpropanamide;1-methylpyrrolidine (CID 142970121) is acetylene;N-methylpropanamide;1-methylpyrrolidine.
What is the SMILES notation for acetylene;N-methylpropanamide;1-methylpyrrolidine?
The canonical SMILES for acetylene;N-methylpropanamide;1-methylpyrrolidine is C#C.CCC(=O)NC.CN1CCCC1.
What is the InChIKey of acetylene;N-methylpropanamide;1-methylpyrrolidine?
The InChIKey is GISPIEIHRRFTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C4H9NO.C2H2/c1-6-4-2-3-5-6;1-3-4(6)5-2;1-2/h2-5H2,1H3;3H2,1-2H3,(H,5,6);1-2H.
What are the key properties of acetylene;N-methylpropanamide;1-methylpyrrolidine?
acetylene;N-methylpropanamide;1-methylpyrrolidine has a molecular weight of 198.31 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-methylpropanamide;1-methylpyrrolidine is sourced from PubChem (CID 142970121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).