2-methyl-1-pyrrolidin-2-yloctan-1-one

C13H25NO — CID 170267083

IUPAC2-methyl-1-pyrrolidin-2-yloctan-1-one
SMILESCCCCCCC(C)C(=O)C1CCCN1
InChIInChI=1S/C13H25NO/c1-3-4-5-6-8-11(2)13(15)12-9-7-10-14-12/h11-12,14H,3-10H2,1-2H3
InChIKeyOEPJJSMUZATKJB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.91
Rot. Bonds7

About 2-methyl-1-pyrrolidin-2-yloctan-1-one

2-methyl-1-pyrrolidin-2-yloctan-1-one (PubChem CID 170267083) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methyl-1-pyrrolidin-2-yloctan-1-one.

Molecular Properties

Compound Name2-methyl-1-pyrrolidin-2-yloctan-1-one
PubChem CID170267083
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methyl-1-pyrrolidin-2-yloctan-1-one
SMILESCCCCCCC(C)C(=O)C1CCCN1
InChIInChI=1S/C13H25NO/c1-3-4-5-6-8-11(2)13(15)12-9-7-10-14-12/h11-12,14H,3-10H2,1-2H3
InChIKeyOEPJJSMUZATKJB-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
(2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane
CID 175590422
2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one
CID 59038032
tetradecan-7-yl piperidine-2-carboxylate
CID 167096260
heptyl pyrrolidine-2-carboxylate
CID 14777077
(2S)-2-(2-methyloctyl)pyrrolidine
CID 146488139
decanoyl (2S)-pyrrolidine-2-carboxylate
CID 89052284
tetradecanoyl (2R)-pyrrolidine-2-carboxylate
CID 90102805
(2S)-N-[(2S)-4-methyl-1-(octadecylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 102062594
(2S)-N,N-dipentylpyrrolidine-2-carboxamide
CID 61165096
3-methylundecan-2-one
CID 12634600
3-methyloctadecan-2-one
CID 89177698

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrrolidin-2-yloctan-1-one?
The IUPAC name of 2-methyl-1-pyrrolidin-2-yloctan-1-one (CID 170267083) is 2-methyl-1-pyrrolidin-2-yloctan-1-one.
What is the SMILES notation for 2-methyl-1-pyrrolidin-2-yloctan-1-one?
The canonical SMILES for 2-methyl-1-pyrrolidin-2-yloctan-1-one is CCCCCCC(C)C(=O)C1CCCN1.
What is the InChIKey of 2-methyl-1-pyrrolidin-2-yloctan-1-one?
The InChIKey is OEPJJSMUZATKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-6-8-11(2)13(15)12-9-7-10-14-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-pyrrolidin-2-yloctan-1-one?
2-methyl-1-pyrrolidin-2-yloctan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrolidin-2-yloctan-1-one is sourced from PubChem (CID 170267083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).