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

C11H18N2O — CID 153271350

IUPAC2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide
SMILESCC1=C(CNC(=O)C(C)(C)C)CC=N1
InChIInChI=1S/C11H18N2O/c1-8-9(5-6-12-8)7-13-10(14)11(2,3)4/h6H,5,7H2,1-4H3,(H,13,14)
InChIKeyWXEPJFXYNNWLKM-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.90
Rot. Bonds2

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

2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide (PubChem CID 153271350) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide
PubChem CID153271350
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide
SMILESCC1=C(CNC(=O)C(C)(C)C)CC=N1
InChIInChI=1S/C11H18N2O/c1-8-9(5-6-12-8)7-13-10(14)11(2,3)4/h6H,5,7H2,1-4H3,(H,13,14)
InChIKeyWXEPJFXYNNWLKM-UHFFFAOYSA-N
XLogP1.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(ethylideneamino)cyclopenten-1-yl]methyl]propanamide
CID 141889681
N-[(2,5-dimethyl-3H-pyrrol-4-yl)methyl]-2,2-dimethylpropanamide
CID 158292850
2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide
CID 159070362
2,2-dimethyl-N-[2-(2H-pyrrol-4-yl)ethyl]propanamide
CID 169873603
2,2-dimethyl-N-[3-(3-methyl-2H-pyrrol-4-yl)propyl]propanamide
CID 169873608
2,2-dimethyl-N-[(4-methyl-3H-pyrrol-5-yl)methyl]propanamide
CID 169873611

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide (CID 153271350) is 2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide is CC1=C(CNC(=O)C(C)(C)C)CC=N1.
What is the InChIKey of 2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide?
The InChIKey is WXEPJFXYNNWLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-9(5-6-12-8)7-13-10(14)11(2,3)4/h6H,5,7H2,1-4H3,(H,13,14).
What are the key properties of 2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide?
2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide has a molecular weight of 194.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide is sourced from PubChem (CID 153271350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).