ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one

C16H33NO — CID 142030366

IUPACethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one
SMILESCC.CCCCC(C(CC)CC)N1CCCC1=O
InChIInChI=1S/C14H27NO.C2H6/c1-4-7-9-13(12(5-2)6-3)15-11-8-10-14(15)16;1-2/h12-13H,4-11H2,1-3H3;1-2H3
InChIKeyNBXGKDZYTBNXSH-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.63
Rot. Bonds7

About ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one

ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one (PubChem CID 142030366) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one
PubChem CID142030366
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Nameethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one
SMILESCC.CCCCC(C(CC)CC)N1CCCC1=O
InChIInChI=1S/C14H27NO.C2H6/c1-4-7-9-13(12(5-2)6-3)15-11-8-10-14(15)16;1-2/h12-13H,4-11H2,1-3H3;1-2H3
InChIKeyNBXGKDZYTBNXSH-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-decan-3-ylpyrrolidin-2-one
CID 175032444
1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
1-(1-aminopentan-2-yl)pyrrolidin-2-one
CID 65191937
1-(4,7,7-trimethylundecan-5-yl)pyrrolidin-2-one
CID 166786750
1-(1-aminobutan-2-yl)pyrrolidin-2-one
CID 15788316
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane
CID 142297493
2-(2-oxopyrrolidin-1-yl)dodecanoic acid
CID 57060081
butyl 2-(2-oxopyrrolidin-1-yl)butanoate
CID 142211549
1-[1-[di(docosyl)amino]ethyl]pyrrolidin-2-one
CID 21273082
1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one
CID 173130930
1-heptan-3-ylpiperidin-4-one
CID 22937465

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one?
The IUPAC name of ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one (CID 142030366) is ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one?
The canonical SMILES for ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one is CC.CCCCC(C(CC)CC)N1CCCC1=O.
What is the InChIKey of ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one?
The InChIKey is NBXGKDZYTBNXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO.C2H6/c1-4-7-9-13(12(5-2)6-3)15-11-8-10-14(15)16;1-2/h12-13H,4-11H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one?
ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one has a molecular weight of 255.45 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 142030366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).