1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one

C12H23NO2 — CID 141037272

IUPAC1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCCC1COC
InChIInChI=1S/C12H23NO2/c1-3-4-5-8-12(14)13-9-6-7-11(13)10-15-2/h11H,3-10H2,1-2H3
InChIKeyXWXNBYYNJUIROK-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds6

About 1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one

1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one (PubChem CID 141037272) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one
PubChem CID141037272
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCCC1COC
InChIInChI=1S/C12H23NO2/c1-3-4-5-8-12(14)13-9-6-7-11(13)10-15-2/h11H,3-10H2,1-2H3
InChIKeyXWXNBYYNJUIROK-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

L-Proline, N-butyryl-, methyl ester
CID 533389
pentyl N-acetylprolinate
CID 9991325
(S)-1-(2-(Methoxymethyl)pyrrolidin-1-yl)ethanone
CID 12939064
methyl (2S)-1-butanoylpyrrolidine-2-carboxylate
CID 14371444
l-Proline, N-caproyl-, methyl ester
CID 531525
L-Proline, N-(hexanoyl)-, butyl ester
CID 91695496
L-Proline, N-(hexanoyl)-, propyl ester
CID 91695497
L-Proline, N-(hexanoyl)-, pentyl ester
CID 91695498
L-Proline, N-(hexanoyl)-, hexyl ester
CID 91695499
Pyrrolid-2-one-5-methanol, N-methyl-, acetate(ester)
CID 566583
5-Methoxy-1-pyrrolidin-1-ylpentan-1-one
CID 10954236
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hept-6-en-1-one
CID 14784817

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one?
The IUPAC name of 1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one (CID 141037272) is 1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for 1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for 1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one is CCCCCC(=O)N1CCCC1COC.
What is the InChIKey of 1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one?
The InChIKey is XWXNBYYNJUIROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-5-8-12(14)13-9-6-7-11(13)10-15-2/h11H,3-10H2,1-2H3.
What are the key properties of 1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one?
1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one has a molecular weight of 213.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-one is sourced from PubChem (CID 141037272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).