ethene;1-pyrrolidin-1-ylethanone

C8H15NO — CID 155736333

IUPACethene;1-pyrrolidin-1-ylethanone
SMILESC=C.CC(=O)N1CCCC1
InChIInChI=1S/C6H11NO.C2H4/c1-6(8)7-4-2-3-5-7;1-2/h2-5H2,1H3;1-2H2
InChIKeyFPQNLNSBCISNIG-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.43
Rot. Bonds

About ethene;1-pyrrolidin-1-ylethanone

ethene;1-pyrrolidin-1-ylethanone (PubChem CID 155736333) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethene;1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Nameethene;1-pyrrolidin-1-ylethanone
PubChem CID155736333
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethene;1-pyrrolidin-1-ylethanone
SMILESC=C.CC(=O)N1CCCC1
InChIInChI=1S/C6H11NO.C2H4/c1-6(8)7-4-2-3-5-7;1-2/h2-5H2,1H3;1-2H2
InChIKeyFPQNLNSBCISNIG-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.43
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-(azetidin-1-yl)ethanone
CID 14061673
propane;1-pyrrolidin-1-ylethanone
CID 143432619
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
1-piperidin-1-ylethanone;propanal
CID 178173122
N-ethylethanamine;1-piperidin-1-ylethanone
CID 143658502
1-(5-amino-1,5-diazocan-1-yl)ethanone
CID 170317022
ethene;1-piperazin-1-ylethanone
CID 145071339
1-(azepan-1-yl)-2-methylprop-2-en-1-one
CID 22146478
ethene;1-pyrrolidin-1-ylpropan-1-one
CID 158024233
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 142979179
1-(5-ethyl-1,5-diazocan-1-yl)ethanone
CID 89081102

Frequently Asked Questions

What is the IUPAC name of ethene;1-pyrrolidin-1-ylethanone?
The IUPAC name of ethene;1-pyrrolidin-1-ylethanone (CID 155736333) is ethene;1-pyrrolidin-1-ylethanone.
What is the SMILES notation for ethene;1-pyrrolidin-1-ylethanone?
The canonical SMILES for ethene;1-pyrrolidin-1-ylethanone is C=C.CC(=O)N1CCCC1.
What is the InChIKey of ethene;1-pyrrolidin-1-ylethanone?
The InChIKey is FPQNLNSBCISNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H4/c1-6(8)7-4-2-3-5-7;1-2/h2-5H2,1H3;1-2H2.
What are the key properties of ethene;1-pyrrolidin-1-ylethanone?
ethene;1-pyrrolidin-1-ylethanone has a molecular weight of 141.21 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 155736333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).