5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one

C15H29NO2 — CID 59565925

IUPAC5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCC(C)CCCC(=O)N1CCCC1COC(C)C
InChIInChI=1S/C15H29NO2/c1-12(2)7-5-9-15(17)16-10-6-8-14(16)11-18-13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyXFWJMRXSKAYMKC-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.23
Rot. Bonds7

About 5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one

5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one (PubChem CID 59565925) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one
PubChem CID59565925
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCC(C)CCCC(=O)N1CCCC1COC(C)C
InChIInChI=1S/C15H29NO2/c1-12(2)7-5-9-15(17)16-10-6-8-14(16)11-18-13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyXFWJMRXSKAYMKC-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2-methoxyethyl)-N-(3-methylcyclopentyl)oxolane-2-carboxamide
CID 86819653
1-[4-Hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylhexan-1-one
CID 121543181
(2-Ethyl-5-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 132283191
1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 148516658
1-[4-Ethyl-2-methyl-2-(3-methylbutyl)-3-oxazolidinyl]ethanone
CID 157665828
Pyrrolidine, 2-(1-methoxy-1-methylethyl)-1-(1-oxopropyl)-, (S)-
CID 12125446
1-[2-(Methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 12939065
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 12939066
[1-(3-Methylbutanoyl)pyrrolidin-2-yl]methyl 3-methylbutanoate
CID 19840988
1-(1-Acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate
CID 19861407
1-(1-Acetyl-4-methyl-5-oxopyrrolidin-2-yl)ethyl acetate
CID 19861412
1-[2,2-Dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one
CID 20621355

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one?
The IUPAC name of 5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one (CID 59565925) is 5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for 5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for 5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one is CC(C)CCCC(=O)N1CCCC1COC(C)C.
What is the InChIKey of 5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one?
The InChIKey is XFWJMRXSKAYMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)7-5-9-15(17)16-10-6-8-14(16)11-18-13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one?
5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one has a molecular weight of 255.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one is sourced from PubChem (CID 59565925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).