2-tert-butyl-4-methoxy-1H-pyrrole

C9H15NO — CID 146376781

IUPAC2-tert-butyl-4-methoxy-1H-pyrrole
SMILESCOc1c[nH]c(C(C)(C)C)c1
InChIInChI=1S/C9H15NO/c1-9(2,3)8-5-7(11-4)6-10-8/h5-6,10H,1-4H3
InChIKeyOWYYTJKCPCRLOJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.32
Rot. Bonds1

About 2-tert-butyl-4-methoxy-1H-pyrrole

2-tert-butyl-4-methoxy-1H-pyrrole (PubChem CID 146376781) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-tert-butyl-4-methoxy-1H-pyrrole.

Molecular Properties

Compound Name2-tert-butyl-4-methoxy-1H-pyrrole
PubChem CID146376781
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-tert-butyl-4-methoxy-1H-pyrrole
SMILESCOc1c[nH]c(C(C)(C)C)c1
InChIInChI=1S/C9H15NO/c1-9(2,3)8-5-7(11-4)6-10-8/h5-6,10H,1-4H3
InChIKeyOWYYTJKCPCRLOJ-UHFFFAOYSA-N
XLogP2.32
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methoxy-1H-pyrrole?
The IUPAC name of 2-tert-butyl-4-methoxy-1H-pyrrole (CID 146376781) is 2-tert-butyl-4-methoxy-1H-pyrrole.
What is the SMILES notation for 2-tert-butyl-4-methoxy-1H-pyrrole?
The canonical SMILES for 2-tert-butyl-4-methoxy-1H-pyrrole is COc1c[nH]c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-methoxy-1H-pyrrole?
The InChIKey is OWYYTJKCPCRLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)8-5-7(11-4)6-10-8/h5-6,10H,1-4H3.
What are the key properties of 2-tert-butyl-4-methoxy-1H-pyrrole?
2-tert-butyl-4-methoxy-1H-pyrrole has a molecular weight of 153.22 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methoxy-1H-pyrrole is sourced from PubChem (CID 146376781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).