1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one

C15H28N2O — CID 168683630

IUPAC1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(C)CCCN(CC)CC)C1
InChIInChI=1S/C15H28N2O/c1-5-14-11-15(18)17(12-14)13(4)9-8-10-16(6-2)7-3/h5,13-14H,1,6-12H2,2-4H3
InChIKeyLHVRFFTYNAMXIJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.53
Rot. Bonds8

About 1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one

1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one (PubChem CID 168683630) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one
PubChem CID168683630
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(C)CCCN(CC)CC)C1
InChIInChI=1S/C15H28N2O/c1-5-14-11-15(18)17(12-14)13(4)9-8-10-16(6-2)7-3/h5,13-14H,1,6-12H2,2-4H3
InChIKeyLHVRFFTYNAMXIJ-UHFFFAOYSA-N
XLogP2.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one
CID 168506635
4-(bromomethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one
CID 168503315
1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710947
S-[[1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168665979
1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one
CID 168683667
4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168683642
4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one
CID 168683551
3-[5-(diethylamino)pentan-2-yl]-2-propan-2-ylimidazolidin-4-one
CID 83238825
4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168683636
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
CID 168683478
(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168683792
4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one
CID 168683619

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one (CID 168683630) is 1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(C(C)CCCN(CC)CC)C1.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one?
The InChIKey is LHVRFFTYNAMXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-14-11-15(18)17(12-14)13(4)9-8-10-16(6-2)7-3/h5,13-14H,1,6-12H2,2-4H3.
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one?
1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one has a molecular weight of 252.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168683630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).