3,6-diethyl-3-pyrrolidin-1-yldecan-4-one

C18H35NO — CID 79068131

IUPAC3,6-diethyl-3-pyrrolidin-1-yldecan-4-one
SMILESCCCCC(CC)CC(=O)C(CC)(CC)N1CCCC1
InChIInChI=1S/C18H35NO/c1-5-9-12-16(6-2)15-17(20)18(7-3,8-4)19-13-10-11-14-19/h16H,5-15H2,1-4H3
InChIKeyQEUKOACNRBWOCI-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.82
Rot. Bonds10

About 3,6-diethyl-3-pyrrolidin-1-yldecan-4-one

3,6-diethyl-3-pyrrolidin-1-yldecan-4-one (PubChem CID 79068131) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 3,6-diethyl-3-pyrrolidin-1-yldecan-4-one.

Molecular Properties

Compound Name3,6-diethyl-3-pyrrolidin-1-yldecan-4-one
PubChem CID79068131
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name3,6-diethyl-3-pyrrolidin-1-yldecan-4-one
SMILESCCCCC(CC)CC(=O)C(CC)(CC)N1CCCC1
InChIInChI=1S/C18H35NO/c1-5-9-12-16(6-2)15-17(20)18(7-3,8-4)19-13-10-11-14-19/h16H,5-15H2,1-4H3
InChIKeyQEUKOACNRBWOCI-UHFFFAOYSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-hydroxy-2-methylnonan-3-one
CID 103446069
6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one
CID 82920402
3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one
CID 79058691
(5R)-5-ethyl-2,2-dimethyldecan-3-one
CID 101155077
5-ethyl-2-methyl-2-methylsulfonylnonan-3-one
CID 114963651
1-(3-ethylheptanoyl)piperidine-4-carboxylic acid
CID 119166750
N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide
CID 95571619
1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one
CID 119467507
zinc bis(3-ethylheptanoate)
CID 159696376
6-ethyl-2,2-dimethyldecan-4-one
CID 63890637
(5-ethyl-2-methyl-2-pyrrolidin-1-ylnonan-3-yl)hydrazine
CID 105239546
2-ethylhexyl 2-pyrrolidin-1-ylpropanoate
CID 141096243

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-3-pyrrolidin-1-yldecan-4-one?
The IUPAC name of 3,6-diethyl-3-pyrrolidin-1-yldecan-4-one (CID 79068131) is 3,6-diethyl-3-pyrrolidin-1-yldecan-4-one.
What is the SMILES notation for 3,6-diethyl-3-pyrrolidin-1-yldecan-4-one?
The canonical SMILES for 3,6-diethyl-3-pyrrolidin-1-yldecan-4-one is CCCCC(CC)CC(=O)C(CC)(CC)N1CCCC1.
What is the InChIKey of 3,6-diethyl-3-pyrrolidin-1-yldecan-4-one?
The InChIKey is QEUKOACNRBWOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-5-9-12-16(6-2)15-17(20)18(7-3,8-4)19-13-10-11-14-19/h16H,5-15H2,1-4H3.
What are the key properties of 3,6-diethyl-3-pyrrolidin-1-yldecan-4-one?
3,6-diethyl-3-pyrrolidin-1-yldecan-4-one has a molecular weight of 281.48 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-3-pyrrolidin-1-yldecan-4-one is sourced from PubChem (CID 79068131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).