3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide

C9H14N2O2 — CID 66397421

IUPAC3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide
SMILESCC(Cn1ccc(CO)c1)C(N)=O
InChIInChI=1S/C9H14N2O2/c1-7(9(10)13)4-11-3-2-8(5-11)6-12/h2-3,5,7,12H,4,6H2,1H3,(H2,10,13)
InChIKeyNSNXVNTYMYOGRH-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.10
Rot. Bonds4

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

3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide (PubChem CID 66397421) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide
PubChem CID66397421
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide
SMILESCC(Cn1ccc(CO)c1)C(N)=O
InChIInChI=1S/C9H14N2O2/c1-7(9(10)13)4-11-3-2-8(5-11)6-12/h2-3,5,7,12H,4,6H2,1H3,(H2,10,13)
InChIKeyNSNXVNTYMYOGRH-UHFFFAOYSA-N
XLogP0.10
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide?
The IUPAC name of 3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide (CID 66397421) is 3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide?
The canonical SMILES for 3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide is CC(Cn1ccc(CO)c1)C(N)=O.
What is the InChIKey of 3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide?
The InChIKey is NSNXVNTYMYOGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(9(10)13)4-11-3-2-8(5-11)6-12/h2-3,5,7,12H,4,6H2,1H3,(H2,10,13).
What are the key properties of 3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide?
3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide has a molecular weight of 182.22 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 66397421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).