3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium

C11H21N2O2+ — CID 23075235

IUPAC3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium
SMILESCOC1C[N+](=C2CCCN2C)CC1OC
InChIInChI=1S/C11H21N2O2/c1-12-6-4-5-11(12)13-7-9(14-2)10(8-13)15-3/h9-10H,4-8H2,1-3H3/q+1
InChIKeyZILGCSQOZHSTNV-UHFFFAOYSA-N
MW213.30 g/mol
LogP0.17
Rot. Bonds2

About 3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium

3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium (PubChem CID 23075235) has the molecular formula C11H21N2O2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is 3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium.

Molecular Properties

Compound Name3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium
PubChem CID23075235
Molecular FormulaC11H21N2O2+
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium
SMILESCOC1C[N+](=C2CCCN2C)CC1OC
InChIInChI=1S/C11H21N2O2/c1-12-6-4-5-11(12)13-7-9(14-2)10(8-13)15-3/h9-10H,4-8H2,1-3H3/q+1
InChIKeyZILGCSQOZHSTNV-UHFFFAOYSA-N
XLogP0.17
TPSA24.71 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine
CID 14268559
1-(3,4-Dimethoxypyrrolidin-1-yl)propan-1-imine
CID 103540488
1-(3,4-Dimethoxypyrrolidin-1-yl)butan-1-imine
CID 103540489
1-(2,3-Dimethoxypropyl)pyrrolidin-2-imine
CID 105699941

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium?
The IUPAC name of 3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium (CID 23075235) is 3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium.
What is the SMILES notation for 3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium?
The canonical SMILES for 3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium is COC1C[N+](=C2CCCN2C)CC1OC.
What is the InChIKey of 3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium?
The InChIKey is ZILGCSQOZHSTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O2/c1-12-6-4-5-11(12)13-7-9(14-2)10(8-13)15-3/h9-10H,4-8H2,1-3H3/q+1.
What are the key properties of 3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium?
3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium has a molecular weight of 213.30 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium is sourced from PubChem (CID 23075235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).