5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide

C7H9FN2O — CID 10866579

IUPAC5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(F)[nH]1
InChIInChI=1S/C7H9FN2O/c1-10(2)7(11)5-3-4-6(8)9-5/h3-4,9H,1-2H3
InChIKeyJKXZYDQBSHHVIG-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.86
Rot. Bonds1

About 5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide

5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 10866579) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID10866579
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(F)[nH]1
InChIInChI=1S/C7H9FN2O/c1-10(2)7(11)5-3-4-6(8)9-5/h3-4,9H,1-2H3
InChIKeyJKXZYDQBSHHVIG-UHFFFAOYSA-N
XLogP0.86
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide (CID 10866579) is 5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide is CN(C)C(=O)c1ccc(F)[nH]1.
What is the InChIKey of 5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is JKXZYDQBSHHVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-10(2)7(11)5-3-4-6(8)9-5/h3-4,9H,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide?
5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 156.16 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 10866579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).