ethene;1-(3-methylpyrrolidin-1-yl)ethanone

C9H17NO — CID 177026606

IUPACethene;1-(3-methylpyrrolidin-1-yl)ethanone
SMILESC=C.CC(=O)N1CCC(C)C1
InChIInChI=1S/C7H13NO.C2H4/c1-6-3-4-8(5-6)7(2)9;1-2/h6H,3-5H2,1-2H3;1-2H2
InChIKeyVGKBMPJILTVEHF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.68
Rot. Bonds

About ethene;1-(3-methylpyrrolidin-1-yl)ethanone

ethene;1-(3-methylpyrrolidin-1-yl)ethanone (PubChem CID 177026606) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is ethene;1-(3-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Nameethene;1-(3-methylpyrrolidin-1-yl)ethanone
PubChem CID177026606
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameethene;1-(3-methylpyrrolidin-1-yl)ethanone
SMILESC=C.CC(=O)N1CCC(C)C1
InChIInChI=1S/C7H13NO.C2H4/c1-6-3-4-8(5-6)7(2)9;1-2/h6H,3-5H2,1-2H3;1-2H2
InChIKeyVGKBMPJILTVEHF-UHFFFAOYSA-N
XLogP1.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Propanone, 2-methyl-1-(1-pyrrolidinyl)-
CID 5143352
1-(3-Methylbutyl)pyrrolidine
CID 108876
US10214537, Example 161
CID 86201975
2-Methyl-butyryl pyrrolidine
CID 4629660
1-(3-Methylbutyl)pyrrolidin-2-one
CID 20389523
1-(2-Methylbutyl)pyrrolidin-2-one
CID 89658712
1-(3-Fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 58285137
2-Fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 130165119
1-[(3R,4S)-3-fluoro-4-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 132267605
1-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 132267606
1-(3-Fluoro-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 132267607
3-Fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 170767388

Frequently Asked Questions

What is the IUPAC name of ethene;1-(3-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of ethene;1-(3-methylpyrrolidin-1-yl)ethanone (CID 177026606) is ethene;1-(3-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for ethene;1-(3-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for ethene;1-(3-methylpyrrolidin-1-yl)ethanone is C=C.CC(=O)N1CCC(C)C1.
What is the InChIKey of ethene;1-(3-methylpyrrolidin-1-yl)ethanone?
The InChIKey is VGKBMPJILTVEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H4/c1-6-3-4-8(5-6)7(2)9;1-2/h6H,3-5H2,1-2H3;1-2H2.
What are the key properties of ethene;1-(3-methylpyrrolidin-1-yl)ethanone?
ethene;1-(3-methylpyrrolidin-1-yl)ethanone has a molecular weight of 155.24 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-(3-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 177026606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).