3-dodecyl-1-propylpyrrolidin-2-one

C19H37NO — CID 10149503

IUPAC3-dodecyl-1-propylpyrrolidin-2-one
SMILESCCCCCCCCCCCCC1CCN(CCC)C1=O
InChIInChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-18-15-17-20(16-4-2)19(18)21/h18H,3-17H2,1-2H3
InChIKeyQFKWRKMYLBDRDB-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.56
Rot. Bonds13

About 3-dodecyl-1-propylpyrrolidin-2-one

3-dodecyl-1-propylpyrrolidin-2-one (PubChem CID 10149503) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 3-dodecyl-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name3-dodecyl-1-propylpyrrolidin-2-one
PubChem CID10149503
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name3-dodecyl-1-propylpyrrolidin-2-one
SMILESCCCCCCCCCCCCC1CCN(CCC)C1=O
InChIInChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-18-15-17-20(16-4-2)19(18)21/h18H,3-17H2,1-2H3
InChIKeyQFKWRKMYLBDRDB-UHFFFAOYSA-N
XLogP5.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.56
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-decyl-1-methylpiperidin-2-one
CID 175348950
3-hydroxy-1-pentylpyrrolidin-2-one
CID 117014185
(3R)-3-[2-(3-ethylimidazol-4-yl)ethyl]-1-propylpyrrolidin-2-one
CID 58120219
3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one
CID 139892665
2-decylcyclopentan-1-one
CID 12823821
3-hexyl-1-methoxypiperidine-2,6-dione
CID 59172801
2-pentadecylcyclopropan-1-one
CID 70874004
1-butyl-3-fluoropyrrolidin-2-one
CID 45088613
4-methyl-1-octylpiperidin-2-one
CID 139271548
1-butyl-3-propan-2-ylpyrrolidin-2-one
CID 139951375
2-nonylcyclododecan-1-one
CID 14296722
2-(3-butyl-2-oxoazepan-1-yl)acetic acid
CID 173395720

Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-1-propylpyrrolidin-2-one?
The IUPAC name of 3-dodecyl-1-propylpyrrolidin-2-one (CID 10149503) is 3-dodecyl-1-propylpyrrolidin-2-one.
What is the SMILES notation for 3-dodecyl-1-propylpyrrolidin-2-one?
The canonical SMILES for 3-dodecyl-1-propylpyrrolidin-2-one is CCCCCCCCCCCCC1CCN(CCC)C1=O.
What is the InChIKey of 3-dodecyl-1-propylpyrrolidin-2-one?
The InChIKey is QFKWRKMYLBDRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-18-15-17-20(16-4-2)19(18)21/h18H,3-17H2,1-2H3.
What are the key properties of 3-dodecyl-1-propylpyrrolidin-2-one?
3-dodecyl-1-propylpyrrolidin-2-one has a molecular weight of 295.51 g/mol, XLogP of 5.56, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-1-propylpyrrolidin-2-one is sourced from PubChem (CID 10149503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).