3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide

C10H10N2O2S — CID 10775392

IUPAC3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide
SMILESNC(=O)c1sccc1-n1cccc1CO
InChIInChI=1S/C10H10N2O2S/c11-10(14)9-8(3-5-15-9)12-4-1-2-7(12)6-13/h1-5,13H,6H2,(H2,11,14)
InChIKeyBPEUIACQRWEEBD-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.13
Rot. Bonds3

About 3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide

3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide (PubChem CID 10775392) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide
PubChem CID10775392
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide
SMILESNC(=O)c1sccc1-n1cccc1CO
InChIInChI=1S/C10H10N2O2S/c11-10(14)9-8(3-5-15-9)12-4-1-2-7(12)6-13/h1-5,13H,6H2,(H2,11,14)
InChIKeyBPEUIACQRWEEBD-UHFFFAOYSA-N
XLogP1.13
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide?
The IUPAC name of 3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide (CID 10775392) is 3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide is NC(=O)c1sccc1-n1cccc1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide?
The InChIKey is BPEUIACQRWEEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c11-10(14)9-8(3-5-15-9)12-4-1-2-7(12)6-13/h1-5,13H,6H2,(H2,11,14).
What are the key properties of 3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide?
3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 10775392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).