1-(2-methoxypropyl)-2,5-dimethylpyrrole

C10H17NO — CID 102700135

IUPAC1-(2-methoxypropyl)-2,5-dimethylpyrrole
SMILESCOC(C)Cn1c(C)ccc1C
InChIInChI=1S/C10H17NO/c1-8-5-6-9(2)11(8)7-10(3)12-4/h5-6,10H,7H2,1-4H3
InChIKeyMAQISKPIOOPJMQ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.14
Rot. Bonds3

About 1-(2-methoxypropyl)-2,5-dimethylpyrrole

1-(2-methoxypropyl)-2,5-dimethylpyrrole (PubChem CID 102700135) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2-methoxypropyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(2-methoxypropyl)-2,5-dimethylpyrrole
PubChem CID102700135
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2-methoxypropyl)-2,5-dimethylpyrrole
SMILESCOC(C)Cn1c(C)ccc1C
InChIInChI=1S/C10H17NO/c1-8-5-6-9(2)11(8)7-10(3)12-4/h5-6,10H,7H2,1-4H3
InChIKeyMAQISKPIOOPJMQ-UHFFFAOYSA-N
XLogP2.14
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(2-methoxypropyl)-2,5-dimethylpyrrole (CID 102700135) is 1-(2-methoxypropyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(2-methoxypropyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(2-methoxypropyl)-2,5-dimethylpyrrole is COC(C)Cn1c(C)ccc1C.
What is the InChIKey of 1-(2-methoxypropyl)-2,5-dimethylpyrrole?
The InChIKey is MAQISKPIOOPJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-5-6-9(2)11(8)7-10(3)12-4/h5-6,10H,7H2,1-4H3.
What are the key properties of 1-(2-methoxypropyl)-2,5-dimethylpyrrole?
1-(2-methoxypropyl)-2,5-dimethylpyrrole has a molecular weight of 167.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 102700135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).