2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide

C12H20N2O2 — CID 79102906

IUPAC2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(O)c1ccn(CC(=O)N(C)C(C)C)c1
InChIInChI=1S/C12H20N2O2/c1-9(2)13(4)12(16)8-14-6-5-11(7-14)10(3)15/h5-7,9-10,15H,8H2,1-4H3
InChIKeyXZZUOHIUXXIFGX-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.41
Rot. Bonds4

About 2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 79102906) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID79102906
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(O)c1ccn(CC(=O)N(C)C(C)C)c1
InChIInChI=1S/C12H20N2O2/c1-9(2)13(4)12(16)8-14-6-5-11(7-14)10(3)15/h5-7,9-10,15H,8H2,1-4H3
InChIKeyXZZUOHIUXXIFGX-UHFFFAOYSA-N
XLogP1.41
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 79102906) is 2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide is CC(O)c1ccn(CC(=O)N(C)C(C)C)c1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is XZZUOHIUXXIFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)13(4)12(16)8-14-6-5-11(7-14)10(3)15/h5-7,9-10,15H,8H2,1-4H3.
What are the key properties of 2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 224.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 79102906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).