1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one

C24H47NO — CID 566885

IUPAC1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCN1CCCC1=O
InChIInChI=1S/C24H47NO/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)17-19-25-18-9-16-24(25)26/h20-23H,6-19H2,1-5H3
InChIKeyRHNZCEKSYRRAFB-UHFFFAOYSA-N
MW365.65 g/mol
LogP7.07
Rot. Bonds15

About 1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one

1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one (PubChem CID 566885) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is 1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one
PubChem CID566885
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Name1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCN1CCCC1=O
InChIInChI=1S/C24H47NO/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)17-19-25-18-9-16-24(25)26/h20-23H,6-19H2,1-5H3
InChIKeyRHNZCEKSYRRAFB-UHFFFAOYSA-N
XLogP7.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one (CID 566885) is 1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one is CC(C)CCCC(C)CCCC(C)CCCC(C)CCN1CCCC1=O.
What is the InChIKey of 1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one?
The InChIKey is RHNZCEKSYRRAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)17-19-25-18-9-16-24(25)26/h20-23H,6-19H2,1-5H3.
What are the key properties of 1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one?
1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one has a molecular weight of 365.65 g/mol, XLogP of 7.07, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7,11,15-tetramethylhexadecyl)pyrrolidin-2-one is sourced from PubChem (CID 566885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).