1-tert-butyl-2-methoxy-3-methylpyrrole

C10H17NO — CID 146378301

IUPAC1-tert-butyl-2-methoxy-3-methylpyrrole
SMILESCOc1c(C)ccn1C(C)(C)C
InChIInChI=1S/C10H17NO/c1-8-6-7-11(9(8)12-5)10(2,3)4/h6-7H,1-5H3
InChIKeyJLDPRGDJYRJXGD-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.56
Rot. Bonds1

About 1-tert-butyl-2-methoxy-3-methylpyrrole

1-tert-butyl-2-methoxy-3-methylpyrrole (PubChem CID 146378301) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-tert-butyl-2-methoxy-3-methylpyrrole.

Molecular Properties

Compound Name1-tert-butyl-2-methoxy-3-methylpyrrole
PubChem CID146378301
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-tert-butyl-2-methoxy-3-methylpyrrole
SMILESCOc1c(C)ccn1C(C)(C)C
InChIInChI=1S/C10H17NO/c1-8-6-7-11(9(8)12-5)10(2,3)4/h6-7H,1-5H3
InChIKeyJLDPRGDJYRJXGD-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methoxy-3-methylpyrrole?
The IUPAC name of 1-tert-butyl-2-methoxy-3-methylpyrrole (CID 146378301) is 1-tert-butyl-2-methoxy-3-methylpyrrole.
What is the SMILES notation for 1-tert-butyl-2-methoxy-3-methylpyrrole?
The canonical SMILES for 1-tert-butyl-2-methoxy-3-methylpyrrole is COc1c(C)ccn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methoxy-3-methylpyrrole?
The InChIKey is JLDPRGDJYRJXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-6-7-11(9(8)12-5)10(2,3)4/h6-7H,1-5H3.
What are the key properties of 1-tert-butyl-2-methoxy-3-methylpyrrole?
1-tert-butyl-2-methoxy-3-methylpyrrole has a molecular weight of 167.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methoxy-3-methylpyrrole is sourced from PubChem (CID 146378301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).