1,2-bis(dimethoxymethyl)pyrrolidine

C10H21NO4 — CID 67764109

IUPAC1,2-bis(dimethoxymethyl)pyrrolidine
SMILESCOC(OC)C1CCCN1C(OC)OC
InChIInChI=1S/C10H21NO4/c1-12-9(13-2)8-6-5-7-11(8)10(14-3)15-4/h8-10H,5-7H2,1-4H3
InChIKeyLWPOGICJIZVSPT-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.65
Rot. Bonds6

About 1,2-bis(dimethoxymethyl)pyrrolidine

1,2-bis(dimethoxymethyl)pyrrolidine (PubChem CID 67764109) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1,2-bis(dimethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1,2-bis(dimethoxymethyl)pyrrolidine
PubChem CID67764109
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name1,2-bis(dimethoxymethyl)pyrrolidine
SMILESCOC(OC)C1CCCN1C(OC)OC
InChIInChI=1S/C10H21NO4/c1-12-9(13-2)8-6-5-7-11(8)10(14-3)15-4/h8-10H,5-7H2,1-4H3
InChIKeyLWPOGICJIZVSPT-UHFFFAOYSA-N
XLogP0.65
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide
CID 90936720
1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone
CID 102032429
2-[2-(dimethoxymethyl)pyrrolidin-1-yl]ethanethial
CID 163965820
(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine
CID 11715624
(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007
(2R)-1,2-di(propan-2-yl)pyrrolidine
CID 59965991
[1-(1-methoxyethyl)pyrrolidin-2-yl]methanol
CID 89040674
2-methoxy-1-propan-2-ylpyrrolidine
CID 59556509
[(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone
CID 22852923
methoxy-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol
CID 135161765
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
1-[1-(1-hydroxyethyl)piperidin-2-yl]ethanol
CID 122614507

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(dimethoxymethyl)pyrrolidine?
The IUPAC name of 1,2-bis(dimethoxymethyl)pyrrolidine (CID 67764109) is 1,2-bis(dimethoxymethyl)pyrrolidine.
What is the SMILES notation for 1,2-bis(dimethoxymethyl)pyrrolidine?
The canonical SMILES for 1,2-bis(dimethoxymethyl)pyrrolidine is COC(OC)C1CCCN1C(OC)OC.
What is the InChIKey of 1,2-bis(dimethoxymethyl)pyrrolidine?
The InChIKey is LWPOGICJIZVSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-12-9(13-2)8-6-5-7-11(8)10(14-3)15-4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1,2-bis(dimethoxymethyl)pyrrolidine?
1,2-bis(dimethoxymethyl)pyrrolidine has a molecular weight of 219.28 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(dimethoxymethyl)pyrrolidine is sourced from PubChem (CID 67764109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).