4-carbamoyl-1-methylpyrrole-2-carboxylic acid

C7H8N2O3 — CID 10352070

IUPAC4-carbamoyl-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(C(N)=O)cc1C(=O)O
InChIInChI=1S/C7H8N2O3/c1-9-3-4(6(8)10)2-5(9)7(11)12/h2-3H,1H3,(H2,8,10)(H,11,12)
InChIKeyMFDNDVAWZIXTQG-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.18
Rot. Bonds2

About 4-carbamoyl-1-methylpyrrole-2-carboxylic acid

4-carbamoyl-1-methylpyrrole-2-carboxylic acid (PubChem CID 10352070) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-carbamoyl-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-carbamoyl-1-methylpyrrole-2-carboxylic acid
PubChem CID10352070
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name4-carbamoyl-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(C(N)=O)cc1C(=O)O
InChIInChI=1S/C7H8N2O3/c1-9-3-4(6(8)10)2-5(9)7(11)12/h2-3H,1H3,(H2,8,10)(H,11,12)
InChIKeyMFDNDVAWZIXTQG-UHFFFAOYSA-N
XLogP-0.18
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-carbamoyl-1-methylpyrrole-2-carboxylic acid (CID 10352070) is 4-carbamoyl-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-carbamoyl-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-carbamoyl-1-methylpyrrole-2-carboxylic acid is Cn1cc(C(N)=O)cc1C(=O)O.
What is the InChIKey of 4-carbamoyl-1-methylpyrrole-2-carboxylic acid?
The InChIKey is MFDNDVAWZIXTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-9-3-4(6(8)10)2-5(9)7(11)12/h2-3H,1H3,(H2,8,10)(H,11,12).
What are the key properties of 4-carbamoyl-1-methylpyrrole-2-carboxylic acid?
4-carbamoyl-1-methylpyrrole-2-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 10352070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).