6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one

C15H29NO — CID 82920402

IUPAC6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one
SMILESCCC(CC)CC(=O)C(C)(CC)N1CCCC1
InChIInChI=1S/C15H29NO/c1-5-13(6-2)12-14(17)15(4,7-3)16-10-8-9-11-16/h13H,5-12H2,1-4H3
InChIKeyAIUFKSHCXRMQFH-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.65
Rot. Bonds7

About 6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one

6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one (PubChem CID 82920402) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one.

Molecular Properties

Compound Name6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one
PubChem CID82920402
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one
SMILESCCC(CC)CC(=O)C(C)(CC)N1CCCC1
InChIInChI=1S/C15H29NO/c1-5-13(6-2)12-14(17)15(4,7-3)16-10-8-9-11-16/h13H,5-12H2,1-4H3
InChIKeyAIUFKSHCXRMQFH-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one?
The IUPAC name of 6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one (CID 82920402) is 6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one.
What is the SMILES notation for 6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one?
The canonical SMILES for 6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one is CCC(CC)CC(=O)C(C)(CC)N1CCCC1.
What is the InChIKey of 6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one?
The InChIKey is AIUFKSHCXRMQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-13(6-2)12-14(17)15(4,7-3)16-10-8-9-11-16/h13H,5-12H2,1-4H3.
What are the key properties of 6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one?
6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one has a molecular weight of 239.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one is sourced from PubChem (CID 82920402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).