3-tert-butyl-4-methoxy-1-methylpyrrole

C10H17NO — CID 146377865

IUPAC3-tert-butyl-4-methoxy-1-methylpyrrole
SMILESCOc1cn(C)cc1C(C)(C)C
InChIInChI=1S/C10H17NO/c1-10(2,3)8-6-11(4)7-9(8)12-5/h6-7H,1-5H3
InChIKeyXSJSJFAIWNZCOP-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.33
Rot. Bonds1

About 3-tert-butyl-4-methoxy-1-methylpyrrole

3-tert-butyl-4-methoxy-1-methylpyrrole (PubChem CID 146377865) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-tert-butyl-4-methoxy-1-methylpyrrole.

Molecular Properties

Compound Name3-tert-butyl-4-methoxy-1-methylpyrrole
PubChem CID146377865
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-tert-butyl-4-methoxy-1-methylpyrrole
SMILESCOc1cn(C)cc1C(C)(C)C
InChIInChI=1S/C10H17NO/c1-10(2,3)8-6-11(4)7-9(8)12-5/h6-7H,1-5H3
InChIKeyXSJSJFAIWNZCOP-UHFFFAOYSA-N
XLogP2.33
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 121217885
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
1-tert-butyl-2,3,4,5-tetramethoxybenzene
CID 101460863
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
CID 117349561
2-tert-butyl-5-chloro-4-methoxyphenol
CID 134599266
1-tert-butyl-5-chloro-4-fluoro-2-methoxybenzene
CID 177095864
1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
CID 148903890
1-tert-butyl-4-iodo-2,5-dimethoxybenzene
CID 18788666
2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methoxyphenyl)sulfanyl-6-methoxyphenol
CID 19389438
1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
CID 23035413
5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol
CID 126635060

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methoxy-1-methylpyrrole?
The IUPAC name of 3-tert-butyl-4-methoxy-1-methylpyrrole (CID 146377865) is 3-tert-butyl-4-methoxy-1-methylpyrrole.
What is the SMILES notation for 3-tert-butyl-4-methoxy-1-methylpyrrole?
The canonical SMILES for 3-tert-butyl-4-methoxy-1-methylpyrrole is COc1cn(C)cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-methoxy-1-methylpyrrole?
The InChIKey is XSJSJFAIWNZCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2,3)8-6-11(4)7-9(8)12-5/h6-7H,1-5H3.
What are the key properties of 3-tert-butyl-4-methoxy-1-methylpyrrole?
3-tert-butyl-4-methoxy-1-methylpyrrole has a molecular weight of 167.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methoxy-1-methylpyrrole is sourced from PubChem (CID 146377865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).