ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene

C17H28N2O — CID 142101459

IUPACethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene
SMILESC=C.CNCC(=O)N1CCCC1C.Cc1ccccc1
InChIInChI=1S/C8H16N2O.C7H8.C2H4/c1-7-4-3-5-10(7)8(11)6-9-2;1-7-5-3-2-4-6-7;1-2/h7,9H,3-6H2,1-2H3;2-6H,1H3;1-2H2
InChIKeyVSDHPESVOOOTHW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.01
Rot. Bonds2

About ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene

ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene (PubChem CID 142101459) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene.

Molecular Properties

Compound Nameethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene
PubChem CID142101459
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Nameethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene
SMILESC=C.CNCC(=O)N1CCCC1C.Cc1ccccc1
InChIInChI=1S/C8H16N2O.C7H8.C2H4/c1-7-4-3-5-10(7)8(11)6-9-2;1-7-5-3-2-4-6-7;1-2/h7,9H,3-6H2,1-2H3;2-6H,1H3;1-2H2
InChIKeyVSDHPESVOOOTHW-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 71047036
2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 124509626
2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 110728198
1-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625368
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625391
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 120705338
3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59282800
9,9-dimethyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]fluorene-3-carboxamide
CID 169197880
5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide
CID 59282776
N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 51632067

Frequently Asked Questions

What is the IUPAC name of ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene?
The IUPAC name of ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene (CID 142101459) is ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene.
What is the SMILES notation for ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene?
The canonical SMILES for ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene is C=C.CNCC(=O)N1CCCC1C.Cc1ccccc1.
What is the InChIKey of ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene?
The InChIKey is VSDHPESVOOOTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C7H8.C2H4/c1-7-4-3-5-10(7)8(11)6-9-2;1-7-5-3-2-4-6-7;1-2/h7,9H,3-6H2,1-2H3;2-6H,1H3;1-2H2.
What are the key properties of ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene?
ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene has a molecular weight of 276.42 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene is sourced from PubChem (CID 142101459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).