4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one

C15H24N2O — CID 123975164

IUPAC4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one
SMILESC=CC(=CC=CC)C(C)N1CC(C(C)N)CC1=O
InChIInChI=1S/C15H24N2O/c1-5-7-8-13(6-2)12(4)17-10-14(11(3)16)9-15(17)18/h5-8,11-12,14H,2,9-10,16H2,1,3-4H3
InChIKeyPMIHIUUDXODMLL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.26
Rot. Bonds5

About 4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one

4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one (PubChem CID 123975164) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one
PubChem CID123975164
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one
SMILESC=CC(=CC=CC)C(C)N1CC(C(C)N)CC1=O
InChIInChI=1S/C15H24N2O/c1-5-7-8-13(6-2)12(4)17-10-14(11(3)16)9-15(17)18/h5-8,11-12,14H,2,9-10,16H2,1,3-4H3
InChIKeyPMIHIUUDXODMLL-UHFFFAOYSA-N
XLogP2.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 57284119
5-Propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one (CID 123975164) is 4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one is C=CC(=CC=CC)C(C)N1CC(C(C)N)CC1=O.
What is the InChIKey of 4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one?
The InChIKey is PMIHIUUDXODMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-7-8-13(6-2)12(4)17-10-14(11(3)16)9-15(17)18/h5-8,11-12,14H,2,9-10,16H2,1,3-4H3.
What are the key properties of 4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one?
4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one has a molecular weight of 248.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-1-(3-ethenylhepta-3,5-dien-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 123975164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).