4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one

C15H27N3O — CID 168684281

IUPAC4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCCCN2CCN(C)CC2)C1
InChIInChI=1S/C15H27N3O/c1-3-14-12-15(19)18(13-14)7-5-4-6-17-10-8-16(2)9-11-17/h3,14H,1,4-13H2,2H3
InChIKeyODDUHFHQRQNKBJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.05
Rot. Bonds6

About 4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one

4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one (PubChem CID 168684281) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
PubChem CID168684281
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCCCN2CCN(C)CC2)C1
InChIInChI=1S/C15H27N3O/c1-3-14-12-15(19)18(13-14)7-5-4-6-17-10-8-16(2)9-11-17/h3,14H,1,4-13H2,2H3
InChIKeyODDUHFHQRQNKBJ-UHFFFAOYSA-N
XLogP1.05
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-[3-(azepan-1-yl)propyl]-4-ethenylpyrrolidin-2-one
CID 168685223
4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168685224
4-ethenyl-1-hexylpyrrolidin-2-one
CID 168684076
4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one
CID 168685210
4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168685234
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 168656232
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696347
4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one
CID 168683531
4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one
CID 168684416
4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one
CID 168683838
1-(4-pyrrolidin-1-ylbutyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670896

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one (CID 168684281) is 4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one is C=CC1CC(=O)N(CCCCN2CCN(C)CC2)C1.
What is the InChIKey of 4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one?
The InChIKey is ODDUHFHQRQNKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-14-12-15(19)18(13-14)7-5-4-6-17-10-8-16(2)9-11-17/h3,14H,1,4-13H2,2H3.
What are the key properties of 4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one?
4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one has a molecular weight of 265.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one is sourced from PubChem (CID 168684281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).