2,3-di(propan-2-yl)-1H-pyrrole;ethane

C12H23N — CID 158864086

IUPAC2,3-di(propan-2-yl)-1H-pyrrole;ethane
SMILESCC.CC(C)c1cc[nH]c1C(C)C
InChIInChI=1S/C10H17N.C2H6/c1-7(2)9-5-6-11-10(9)8(3)4;1-2/h5-8,11H,1-4H3;1-2H3
InChIKeyJAZVJVVEHGLPBZ-UHFFFAOYSA-N
MW181.32 g/mol
LogP4.29
Rot. Bonds2

About 2,3-di(propan-2-yl)-1H-pyrrole;ethane

2,3-di(propan-2-yl)-1H-pyrrole;ethane (PubChem CID 158864086) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-1H-pyrrole;ethane.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-1H-pyrrole;ethane
PubChem CID158864086
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2,3-di(propan-2-yl)-1H-pyrrole;ethane
SMILESCC.CC(C)c1cc[nH]c1C(C)C
InChIInChI=1S/C10H17N.C2H6/c1-7(2)9-5-6-11-10(9)8(3)4;1-2/h5-8,11H,1-4H3;1-2H3
InChIKeyJAZVJVVEHGLPBZ-UHFFFAOYSA-N
XLogP4.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2,3-di(propan-2-yl)-1H-pyrrole;ethane 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

2-propan-2-yl-1H-pyrrol-3-ol
CID 148579171
3-chloro-2-propan-2-yl-1H-pyrrole
CID 58030003
1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole
CID 13214536
1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1H-pyrrole
CID 159815404
1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;methane
CID 161003247
2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole
CID 10954950
2,3,4-tri(propan-2-yl)-1H-pyrrole
CID 90075939
methane;3-propan-2-yl-1H-pyridin-2-one
CID 159076813
ethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole
CID 142433791
3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one
CID 58280410
4,5-di(propan-2-yl)-1H-pyrazole
CID 18735016
3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 122697069

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-1H-pyrrole;ethane?
The IUPAC name of 2,3-di(propan-2-yl)-1H-pyrrole;ethane (CID 158864086) is 2,3-di(propan-2-yl)-1H-pyrrole;ethane.
What is the SMILES notation for 2,3-di(propan-2-yl)-1H-pyrrole;ethane?
The canonical SMILES for 2,3-di(propan-2-yl)-1H-pyrrole;ethane is CC.CC(C)c1cc[nH]c1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-1H-pyrrole;ethane?
The InChIKey is JAZVJVVEHGLPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C2H6/c1-7(2)9-5-6-11-10(9)8(3)4;1-2/h5-8,11H,1-4H3;1-2H3.
What are the key properties of 2,3-di(propan-2-yl)-1H-pyrrole;ethane?
2,3-di(propan-2-yl)-1H-pyrrole;ethane has a molecular weight of 181.32 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-1H-pyrrole;ethane is sourced from PubChem (CID 158864086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).