5-methyl-1-pyrrolidin-1-yloctan-1-one

C13H25NO — CID 168981968

IUPAC5-methyl-1-pyrrolidin-1-yloctan-1-one
SMILESCCCC(C)CCCC(=O)N1CCCC1
InChIInChI=1S/C13H25NO/c1-3-7-12(2)8-6-9-13(15)14-10-4-5-11-14/h12H,3-11H2,1-2H3
InChIKeyAPQFOQSEZLYBCT-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.22
Rot. Bonds6

About 5-methyl-1-pyrrolidin-1-yloctan-1-one

5-methyl-1-pyrrolidin-1-yloctan-1-one (PubChem CID 168981968) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-methyl-1-pyrrolidin-1-yloctan-1-one.

Molecular Properties

Compound Name5-methyl-1-pyrrolidin-1-yloctan-1-one
PubChem CID168981968
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-methyl-1-pyrrolidin-1-yloctan-1-one
SMILESCCCC(C)CCCC(=O)N1CCCC1
InChIInChI=1S/C13H25NO/c1-3-7-12(2)8-6-9-13(15)14-10-4-5-11-14/h12H,3-11H2,1-2H3
InChIKeyAPQFOQSEZLYBCT-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
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(6S)-6,10-dimethyltridecan-2-one
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1-[(3S)-3,5-diethyl-4-(2-methylpropyl)piperazin-1-yl]-5-methyloctan-1-one
CID 174094814
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
4-hydroxy-1-pyrrolidin-1-ylpentan-1-one
CID 54374776
7-methyl-1-piperidin-1-yloctane-1,6-dione
CID 166128163
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pyrrolidin-1-yloctan-1-one?
The IUPAC name of 5-methyl-1-pyrrolidin-1-yloctan-1-one (CID 168981968) is 5-methyl-1-pyrrolidin-1-yloctan-1-one.
What is the SMILES notation for 5-methyl-1-pyrrolidin-1-yloctan-1-one?
The canonical SMILES for 5-methyl-1-pyrrolidin-1-yloctan-1-one is CCCC(C)CCCC(=O)N1CCCC1.
What is the InChIKey of 5-methyl-1-pyrrolidin-1-yloctan-1-one?
The InChIKey is APQFOQSEZLYBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-7-12(2)8-6-9-13(15)14-10-4-5-11-14/h12H,3-11H2,1-2H3.
What are the key properties of 5-methyl-1-pyrrolidin-1-yloctan-1-one?
5-methyl-1-pyrrolidin-1-yloctan-1-one has a molecular weight of 211.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pyrrolidin-1-yloctan-1-one is sourced from PubChem (CID 168981968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).