N-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide

C12H20N2O — CID 158292850

IUPACN-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide
SMILESCC1=NC(C)=C(CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C12H20N2O/c1-8-6-10(9(2)14-8)7-13-11(15)12(3,4)5/h6-7H2,1-5H3,(H,13,15)
InChIKeyGLOJCJDFXFUFIM-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.29
Rot. Bonds2

About N-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide

N-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 158292850) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide
PubChem CID158292850
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide
SMILESCC1=NC(C)=C(CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C12H20N2O/c1-8-6-10(9(2)14-8)7-13-11(15)12(3,4)5/h6-7H2,1-5H3,(H,13,15)
InChIKeyGLOJCJDFXFUFIM-UHFFFAOYSA-N
XLogP2.29
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide (CID 158292850) is N-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide is CC1=NC(C)=C(CNC(=O)C(C)(C)C)C1.
What is the InChIKey of N-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is GLOJCJDFXFUFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-6-10(9(2)14-8)7-13-11(15)12(3,4)5/h6-7H2,1-5H3,(H,13,15).
What are the key properties of N-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide?
N-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 208.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 158292850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).