1-tert-butyl-3-methoxypyrrole

C9H15NO — CID 15728370

IUPAC1-tert-butyl-3-methoxypyrrole
SMILESCOc1ccn(C(C)(C)C)c1
InChIInChI=1S/C9H15NO/c1-9(2,3)10-6-5-8(7-10)11-4/h5-7H,1-4H3
InChIKeyIWEJLQBVSBJNNZ-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.25
Rot. Bonds1

About 1-tert-butyl-3-methoxypyrrole

1-tert-butyl-3-methoxypyrrole (PubChem CID 15728370) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-tert-butyl-3-methoxypyrrole.

Molecular Properties

Compound Name1-tert-butyl-3-methoxypyrrole
PubChem CID15728370
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-tert-butyl-3-methoxypyrrole
SMILESCOc1ccn(C(C)(C)C)c1
InChIInChI=1S/C9H15NO/c1-9(2,3)10-6-5-8(7-10)11-4/h5-7H,1-4H3
InChIKeyIWEJLQBVSBJNNZ-UHFFFAOYSA-N
XLogP2.25
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-methoxypyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-chloropyrrole
CID 10080626
3-methoxy-1-propan-2-ylpyrrole
CID 167613624
tris(1-tert-butylpyrrol-3-yl)-sulfanylidene-λ5-phosphane
CID 4020862
3-methoxy-1-phenylpyrrole
CID 5324681
1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide
CID 110699024
1-tert-butyl-3-[(4-methoxyphenyl)methyl]imidazol-3-ium
CID 101396789
1-tert-butyl-5-methoxybenzotriazole
CID 134294764
(3R)-3-amino-3-(1-tert-butylpyrrol-3-yl)propanenitrile
CID 55277492
1-[(4-bromophenyl)methyl]-3-methoxypyrrole
CID 175093862
3-tert-butyl-7-methoxyimidazo[1,2-a]pyridine
CID 146480145
1-tert-butyl-6-(4-methoxyphenyl)indole
CID 139382452
tert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane
CID 140767989

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methoxypyrrole?
The IUPAC name of 1-tert-butyl-3-methoxypyrrole (CID 15728370) is 1-tert-butyl-3-methoxypyrrole.
What is the SMILES notation for 1-tert-butyl-3-methoxypyrrole?
The canonical SMILES for 1-tert-butyl-3-methoxypyrrole is COc1ccn(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-methoxypyrrole?
The InChIKey is IWEJLQBVSBJNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)10-6-5-8(7-10)11-4/h5-7H,1-4H3.
What are the key properties of 1-tert-butyl-3-methoxypyrrole?
1-tert-butyl-3-methoxypyrrole has a molecular weight of 153.22 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methoxypyrrole is sourced from PubChem (CID 15728370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).