3-ethenylpyrrolidin-2-one;icos-1-ene

C26H49NO — CID 142741632

IUPAC3-ethenylpyrrolidin-2-one;icos-1-ene
SMILESC=CC1CCNC1=O.C=CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H40.C6H9NO/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;1-2-5-3-4-7-6(5)8/h3H,1,4-20H2,2H3;2,5H,1,3-4H2,(H,7,8)
InChIKeyMNHCVYWCNVODSS-UHFFFAOYSA-N
MW391.68 g/mol
LogP8.13
Rot. Bonds18

About 3-ethenylpyrrolidin-2-one;icos-1-ene

3-ethenylpyrrolidin-2-one;icos-1-ene (PubChem CID 142741632) has the molecular formula C26H49NO and a molecular weight of 391.68 g/mol. Its IUPAC name is 3-ethenylpyrrolidin-2-one;icos-1-ene.

Molecular Properties

Compound Name3-ethenylpyrrolidin-2-one;icos-1-ene
PubChem CID142741632
Molecular FormulaC26H49NO
Molecular Weight391.68 g/mol
Exact Mass391.38
IUPAC Name3-ethenylpyrrolidin-2-one;icos-1-ene
SMILESC=CC1CCNC1=O.C=CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H40.C6H9NO/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;1-2-5-3-4-7-6(5)8/h3H,1,4-20H2,2H3;2,5H,1,3-4H2,(H,7,8)
InChIKeyMNHCVYWCNVODSS-UHFFFAOYSA-N
XLogP8.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.68
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-ethenylpyrrolidin-2-one
CID 143588464
octadecane;octadec-1-ene
CID 162018238
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
oct-1-ene;piperazine;silane
CID 175359517
3-ethenylpyrrolidin-2-one;1-propan-2-ylidenepiperidin-1-ium;chloride
CID 174932057
oct-1-ene;hydrobromide
CID 88838560
oct-1-ene;tetrahydrochloride
CID 172847494
dec-1-ene;ethene
CID 161044144

Frequently Asked Questions

What is the IUPAC name of 3-ethenylpyrrolidin-2-one;icos-1-ene?
The IUPAC name of 3-ethenylpyrrolidin-2-one;icos-1-ene (CID 142741632) is 3-ethenylpyrrolidin-2-one;icos-1-ene.
What is the SMILES notation for 3-ethenylpyrrolidin-2-one;icos-1-ene?
The canonical SMILES for 3-ethenylpyrrolidin-2-one;icos-1-ene is C=CC1CCNC1=O.C=CCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 3-ethenylpyrrolidin-2-one;icos-1-ene?
The InChIKey is MNHCVYWCNVODSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40.C6H9NO/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;1-2-5-3-4-7-6(5)8/h3H,1,4-20H2,2H3;2,5H,1,3-4H2,(H,7,8).
What are the key properties of 3-ethenylpyrrolidin-2-one;icos-1-ene?
3-ethenylpyrrolidin-2-one;icos-1-ene has a molecular weight of 391.68 g/mol, XLogP of 8.13, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylpyrrolidin-2-one;icos-1-ene is sourced from PubChem (CID 142741632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).