1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone

C11H14N2O3 — CID 63106944

IUPAC1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CC(O)C2)n(C)c1
InChIInChI=1S/C11H14N2O3/c1-7(14)8-3-10(12(2)4-8)11(16)13-5-9(15)6-13/h3-4,9,15H,5-6H2,1-2H3
InChIKeyQPAYLDNYBVQVHJ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.04
Rot. Bonds2

About 1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone

1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone (PubChem CID 63106944) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone
PubChem CID63106944
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CC(O)C2)n(C)c1
InChIInChI=1S/C11H14N2O3/c1-7(14)8-3-10(12(2)4-8)11(16)13-5-9(15)6-13/h3-4,9,15H,5-6H2,1-2H3
InChIKeyQPAYLDNYBVQVHJ-UHFFFAOYSA-N
XLogP0.04
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone (CID 63106944) is 1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone is CC(=O)c1cc(C(=O)N2CC(O)C2)n(C)c1.
What is the InChIKey of 1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone?
The InChIKey is QPAYLDNYBVQVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(14)8-3-10(12(2)4-8)11(16)13-5-9(15)6-13/h3-4,9,15H,5-6H2,1-2H3.
What are the key properties of 1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone?
1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone has a molecular weight of 222.24 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-3-yl]ethanone is sourced from PubChem (CID 63106944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).