3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one

C19H37NO — CID 143942584

IUPAC3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one
SMILESCCC(C)CCCCCCCCCN1CCC(CC)C1=O
InChIInChI=1S/C19H37NO/c1-4-17(3)13-11-9-7-6-8-10-12-15-20-16-14-18(5-2)19(20)21/h17-18H,4-16H2,1-3H3
InChIKeyDKDJNIODSLITGC-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.41
Rot. Bonds12

About 3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one

3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one (PubChem CID 143942584) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one
PubChem CID143942584
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one
SMILESCCC(C)CCCCCCCCCN1CCC(CC)C1=O
InChIInChI=1S/C19H37NO/c1-4-17(3)13-11-9-7-6-8-10-12-15-20-16-14-18(5-2)19(20)21/h17-18H,4-16H2,1-3H3
InChIKeyDKDJNIODSLITGC-UHFFFAOYSA-N
XLogP5.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-(5-methylhexyl)pyrrolidin-2-one
CID 115326986
3-amino-1-(4-methylpentyl)pyrrolidin-2-one
CID 63004038
3-dodecyl-1-propylpyrrolidin-2-one
CID 10149503
3-butan-2-yl-1-(5-methylhexyl)-1,4-diazepane-2,5-dione
CID 115327141
1-butyl-3-propan-2-ylpyrrolidin-2-one
CID 139951375
3-hydroxy-1-pentylpyrrolidin-2-one
CID 117014185
1-(8-methyldecyl)-4-propan-2-ylpiperazine
CID 171838375
7-methylnonylcyclopropane
CID 123906260
3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one
CID 107849724
3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one
CID 104680063
(1S,5R)-3-(5-methylheptyl)-8-octyl-3,8-diazabicyclo[3.2.1]octane
CID 170008963
(6R)-6-[(5S)-5-methylheptyl]oxan-2-one
CID 163061475

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one?
The IUPAC name of 3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one (CID 143942584) is 3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one?
The canonical SMILES for 3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one is CCC(C)CCCCCCCCCN1CCC(CC)C1=O.
What is the InChIKey of 3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one?
The InChIKey is DKDJNIODSLITGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-4-17(3)13-11-9-7-6-8-10-12-15-20-16-14-18(5-2)19(20)21/h17-18H,4-16H2,1-3H3.
What are the key properties of 3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one?
3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one has a molecular weight of 295.51 g/mol, XLogP of 5.41, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(10-methyldodecyl)pyrrolidin-2-one is sourced from PubChem (CID 143942584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).