4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one

C16H18N2O — CID 168685309

IUPAC4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C16H18N2O/c1-2-12-10-16(19)18(11-12)8-6-13-3-4-14-5-7-17-15(14)9-13/h2-5,7,9,12,17H,1,6,8,10-11H2
InChIKeyLVOHNUXCOMXJEE-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.74
Rot. Bonds4

About 4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one

4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one (PubChem CID 168685309) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one
PubChem CID168685309
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C16H18N2O/c1-2-12-10-16(19)18(11-12)8-6-13-3-4-14-5-7-17-15(14)9-13/h2-5,7,9,12,17H,1,6,8,10-11H2
InChIKeyLVOHNUXCOMXJEE-UHFFFAOYSA-N
XLogP2.74
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 168685303
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168685350
4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
CID 168685338
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one
CID 168660252
4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one
CID 168657379
4-ethenyl-1-hexylpyrrolidin-2-one
CID 168684076
4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one
CID 168685210
4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one
CID 168685510
4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one
CID 168685460
1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one
CID 168709400
1-[2-(1H-indazol-5-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670961

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one (CID 168685309) is 4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one is C=CC1CC(=O)N(CCc2ccc3cc[nH]c3c2)C1.
What is the InChIKey of 4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one?
The InChIKey is LVOHNUXCOMXJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-12-10-16(19)18(11-12)8-6-13-3-4-14-5-7-17-15(14)9-13/h2-5,7,9,12,17H,1,6,8,10-11H2.
What are the key properties of 4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one?
4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one has a molecular weight of 254.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168685309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).