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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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).