1-ethoxypyrrolidine;methane

C7H17NO — CID 159696981

IUPAC1-ethoxypyrrolidine;methane
SMILESC.CCON1CCCC1
InChIInChI=1S/C6H13NO.CH4/c1-2-8-7-5-3-4-6-7;/h2-6H2,1H3;1H4
InChIKeyMXDCMFXZWSWFBA-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.67
Rot. Bonds2

About 1-ethoxypyrrolidine;methane

1-ethoxypyrrolidine;methane (PubChem CID 159696981) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-ethoxypyrrolidine;methane.

Molecular Properties

Compound Name1-ethoxypyrrolidine;methane
PubChem CID159696981
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-ethoxypyrrolidine;methane
SMILESC.CCON1CCCC1
InChIInChI=1S/C6H13NO.CH4/c1-2-8-7-5-3-4-6-7;/h2-6H2,1H3;1H4
InChIKeyMXDCMFXZWSWFBA-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxypyrrolidine;methane?
The IUPAC name of 1-ethoxypyrrolidine;methane (CID 159696981) is 1-ethoxypyrrolidine;methane.
What is the SMILES notation for 1-ethoxypyrrolidine;methane?
The canonical SMILES for 1-ethoxypyrrolidine;methane is C.CCON1CCCC1.
What is the InChIKey of 1-ethoxypyrrolidine;methane?
The InChIKey is MXDCMFXZWSWFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.CH4/c1-2-8-7-5-3-4-6-7;/h2-6H2,1H3;1H4.
What are the key properties of 1-ethoxypyrrolidine;methane?
1-ethoxypyrrolidine;methane has a molecular weight of 131.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypyrrolidine;methane is sourced from PubChem (CID 159696981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).