1-tert-butyl-3,3-dimethyl-2H-pyrrole

C10H19N — CID 90076789

IUPAC1-tert-butyl-3,3-dimethyl-2H-pyrrole
SMILESCC1(C)C=CN(C(C)(C)C)C1
InChIInChI=1S/C10H19N/c1-9(2,3)11-7-6-10(4,5)8-11/h6-7H,8H2,1-5H3
InChIKeyKEXSEWWBWCUZIH-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.64
Rot. Bonds

About 1-tert-butyl-3,3-dimethyl-2H-pyrrole

1-tert-butyl-3,3-dimethyl-2H-pyrrole (PubChem CID 90076789) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-tert-butyl-3,3-dimethyl-2H-pyrrole.

Molecular Properties

Compound Name1-tert-butyl-3,3-dimethyl-2H-pyrrole
PubChem CID90076789
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-tert-butyl-3,3-dimethyl-2H-pyrrole
SMILESCC1(C)C=CN(C(C)(C)C)C1
InChIInChI=1S/C10H19N/c1-9(2,3)11-7-6-10(4,5)8-11/h6-7H,8H2,1-5H3
InChIKeyKEXSEWWBWCUZIH-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-3,3-dimethyl-2H-pyrrole 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

7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene
CID 166028394
1-tert-butyl-3,3-dimethylazetidine
CID 14090352
4-methyl-1-azabicyclo[2.1.0]pent-2-ene
CID 153068426
1-tert-butyl-2H-pyridine
CID 54401784
1-tert-butyl-4-propan-2-yl-3,4-dihydro-2H-pyridine
CID 139428055
1-ethyl-3,3,6,6-tetramethyl-2H-pyridine
CID 139630080
4-tert-butyl-2,3-dihydro-1H-pyrazine
CID 59343103
1-tert-butyl-3-ethyl-2H-imidazole
CID 68780965
4-tert-butyl-2,2-dimethylmorpholine
CID 59539576
CID 59009704
CID 59009704
1-tert-butyl-4,4-dimethylimidazolidin-2-ol
CID 167004933
1-tert-butyl-3-propyl-2H-imidazole
CID 68778340

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-dimethyl-2H-pyrrole?
The IUPAC name of 1-tert-butyl-3,3-dimethyl-2H-pyrrole (CID 90076789) is 1-tert-butyl-3,3-dimethyl-2H-pyrrole.
What is the SMILES notation for 1-tert-butyl-3,3-dimethyl-2H-pyrrole?
The canonical SMILES for 1-tert-butyl-3,3-dimethyl-2H-pyrrole is CC1(C)C=CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3,3-dimethyl-2H-pyrrole?
The InChIKey is KEXSEWWBWCUZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2,3)11-7-6-10(4,5)8-11/h6-7H,8H2,1-5H3.
What are the key properties of 1-tert-butyl-3,3-dimethyl-2H-pyrrole?
1-tert-butyl-3,3-dimethyl-2H-pyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-dimethyl-2H-pyrrole is sourced from PubChem (CID 90076789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).