N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide

C9H11N3O — CID 4271700

IUPACN-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide
SMILESCC(=O)Nc1[nH]c(C)c(C)c1C#N
InChIInChI=1S/C9H11N3O/c1-5-6(2)11-9(8(5)4-10)12-7(3)13/h11H,1-3H3,(H,12,13)
InChIKeyYUQQEKSAOOLWLK-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.46
Rot. Bonds1

About N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide

N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide (PubChem CID 4271700) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide
PubChem CID4271700
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide
SMILESCC(=O)Nc1[nH]c(C)c(C)c1C#N
InChIInChI=1S/C9H11N3O/c1-5-6(2)11-9(8(5)4-10)12-7(3)13/h11H,1-3H3,(H,12,13)
InChIKeyYUQQEKSAOOLWLK-UHFFFAOYSA-N
XLogP1.46
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide (CID 4271700) is N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide is CC(=O)Nc1[nH]c(C)c(C)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide?
The InChIKey is YUQQEKSAOOLWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5-6(2)11-9(8(5)4-10)12-7(3)13/h11H,1-3H3,(H,12,13).
What are the key properties of N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide?
N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide has a molecular weight of 177.21 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 4271700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).