4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide

C11H15N3O — CID 84616578

IUPAC4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide
SMILESCc1cc(C)n(CCCC(N)=O)c1C#N
InChIInChI=1S/C11H15N3O/c1-8-6-9(2)14(10(8)7-12)5-3-4-11(13)15/h6H,3-5H2,1-2H3,(H2,13,15)
InChIKeyYMKGGOVXGMIBQV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.24
Rot. Bonds4

About 4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide

4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide (PubChem CID 84616578) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide.

Molecular Properties

Compound Name4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide
PubChem CID84616578
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide
SMILESCc1cc(C)n(CCCC(N)=O)c1C#N
InChIInChI=1S/C11H15N3O/c1-8-6-9(2)14(10(8)7-12)5-3-4-11(13)15/h6H,3-5H2,1-2H3,(H2,13,15)
InChIKeyYMKGGOVXGMIBQV-UHFFFAOYSA-N
XLogP1.24
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide
CID 84614937
4-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)butanoic acid
CID 84616792
1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
CID 62859788
4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile
CID 84614931
1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 3148839
3-(3-formyl-2,5-dimethylpyrrol-1-yl)propanamide
CID 43553582
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 84616508
1-[2-(4-chlorophenoxy)ethyl]-3,5-dimethylpyrrole-2-carbonitrile
CID 84616542
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
4-(2-cyano-6-methylphenyl)butanamide
CID 173253243
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate
CID 21312564

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide?
The IUPAC name of 4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide (CID 84616578) is 4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide.
What is the SMILES notation for 4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide?
The canonical SMILES for 4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide is Cc1cc(C)n(CCCC(N)=O)c1C#N.
What is the InChIKey of 4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide?
The InChIKey is YMKGGOVXGMIBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-6-9(2)14(10(8)7-12)5-3-4-11(13)15/h6H,3-5H2,1-2H3,(H2,13,15).
What are the key properties of 4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide?
4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide has a molecular weight of 205.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide is sourced from PubChem (CID 84616578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).