1-methyl-2,2-dipropoxypyrrolidine

C11H23NO2 — CID 12705232

IUPAC1-methyl-2,2-dipropoxypyrrolidine
SMILESCCCOC1(OCCC)CCCN1C
InChIInChI=1S/C11H23NO2/c1-4-9-13-11(14-10-5-2)7-6-8-12(11)3/h4-10H2,1-3H3
InChIKeyXAOANTATTUUECM-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds6

About 1-methyl-2,2-dipropoxypyrrolidine

1-methyl-2,2-dipropoxypyrrolidine (PubChem CID 12705232) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-methyl-2,2-dipropoxypyrrolidine.

Molecular Properties

Compound Name1-methyl-2,2-dipropoxypyrrolidine
PubChem CID12705232
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-methyl-2,2-dipropoxypyrrolidine
SMILESCCCOC1(OCCC)CCCN1C
InChIInChI=1S/C11H23NO2/c1-4-9-13-11(14-10-5-2)7-6-8-12(11)3/h4-10H2,1-3H3
InChIKeyXAOANTATTUUECM-UHFFFAOYSA-N
XLogP2.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,2-dipropoxypyrrolidine?
The IUPAC name of 1-methyl-2,2-dipropoxypyrrolidine (CID 12705232) is 1-methyl-2,2-dipropoxypyrrolidine.
What is the SMILES notation for 1-methyl-2,2-dipropoxypyrrolidine?
The canonical SMILES for 1-methyl-2,2-dipropoxypyrrolidine is CCCOC1(OCCC)CCCN1C.
What is the InChIKey of 1-methyl-2,2-dipropoxypyrrolidine?
The InChIKey is XAOANTATTUUECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-9-13-11(14-10-5-2)7-6-8-12(11)3/h4-10H2,1-3H3.
What are the key properties of 1-methyl-2,2-dipropoxypyrrolidine?
1-methyl-2,2-dipropoxypyrrolidine has a molecular weight of 201.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,2-dipropoxypyrrolidine is sourced from PubChem (CID 12705232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).