ethene;1-pyrrolidin-1-ylpropan-1-one

C9H17NO — CID 158024233

IUPACethene;1-pyrrolidin-1-ylpropan-1-one
SMILESC=C.CCC(=O)N1CCCC1
InChIInChI=1S/C7H13NO.C2H4/c1-2-7(9)8-5-3-4-6-8;1-2/h2-6H2,1H3;1-2H2
InChIKeyFGKNIKAUYMHWBA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds1

About ethene;1-pyrrolidin-1-ylpropan-1-one

ethene;1-pyrrolidin-1-ylpropan-1-one (PubChem CID 158024233) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is ethene;1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Nameethene;1-pyrrolidin-1-ylpropan-1-one
PubChem CID158024233
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameethene;1-pyrrolidin-1-ylpropan-1-one
SMILESC=C.CCC(=O)N1CCCC1
InChIInChI=1S/C7H13NO.C2H4/c1-2-7(9)8-5-3-4-6-8;1-2/h2-6H2,1H3;1-2H2
InChIKeyFGKNIKAUYMHWBA-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.82
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

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1-(azepan-1-yl)propan-1-one
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methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
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formic acid;1-pyrrolidin-1-ylpropan-1-one
CID 142278991
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1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
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1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
1-(4-propanoyl-1,4-diazepan-1-yl)butane-1,3-dione
CID 54916137
2-methyl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 61072901
1-propanoylazepan-4-one
CID 18675736
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Frequently Asked Questions

What is the IUPAC name of ethene;1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of ethene;1-pyrrolidin-1-ylpropan-1-one (CID 158024233) is ethene;1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for ethene;1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for ethene;1-pyrrolidin-1-ylpropan-1-one is C=C.CCC(=O)N1CCCC1.
What is the InChIKey of ethene;1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FGKNIKAUYMHWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H4/c1-2-7(9)8-5-3-4-6-8;1-2/h2-6H2,1H3;1-2H2.
What are the key properties of ethene;1-pyrrolidin-1-ylpropan-1-one?
ethene;1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 158024233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).