N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide

C10H13N3O — CID 3592943

IUPACN-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide
SMILESCCc1[nH]c(NC(C)=O)c(C#N)c1C
InChIInChI=1S/C10H13N3O/c1-4-9-6(2)8(5-11)10(13-9)12-7(3)14/h13H,4H2,1-3H3,(H,12,14)
InChIKeyAACXHYKFVPQLDG-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.72
Rot. Bonds2

About N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide

N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide (PubChem CID 3592943) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide
PubChem CID3592943
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide
SMILESCCc1[nH]c(NC(C)=O)c(C#N)c1C
InChIInChI=1S/C10H13N3O/c1-4-9-6(2)8(5-11)10(13-9)12-7(3)14/h13H,4H2,1-3H3,(H,12,14)
InChIKeyAACXHYKFVPQLDG-UHFFFAOYSA-N
XLogP1.72
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide (CID 3592943) is N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide is CCc1[nH]c(NC(C)=O)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide?
The InChIKey is AACXHYKFVPQLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-9-6(2)8(5-11)10(13-9)12-7(3)14/h13H,4H2,1-3H3,(H,12,14).
What are the key properties of N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide?
N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide has a molecular weight of 191.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 3592943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).