1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one

C6H7NO — CID 10909524

IUPAC1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one
SMILES[2H]C([2H])=C([2H])N1C=CC(=O)C1
InChIInChI=1S/C6H7NO/c1-2-7-4-3-6(8)5-7/h2-4H,1,5H2/i1D2,2D
InChIKeyZOQOMCCLZMABGU-FUDHJZNOSA-N
MW112.15 g/mol
LogP0.53
Rot. Bonds1

About 1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one

1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one (PubChem CID 10909524) has the molecular formula C6H7NO and a molecular weight of 112.15 g/mol. Its IUPAC name is 1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one.

Molecular Properties

Compound Name1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one
PubChem CID10909524
Molecular FormulaC6H7NO
Molecular Weight112.15 g/mol
Exact Mass112.07
IUPAC Name1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one
SMILES[2H]C([2H])=C([2H])N1C=CC(=O)C1
InChIInChI=1S/C6H7NO/c1-2-7-4-3-6(8)5-7/h2-4H,1,5H2/i1D2,2D
InChIKeyZOQOMCCLZMABGU-FUDHJZNOSA-N
XLogP0.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one?
The IUPAC name of 1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one (CID 10909524) is 1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one.
What is the SMILES notation for 1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one?
The canonical SMILES for 1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one is [2H]C([2H])=C([2H])N1C=CC(=O)C1.
What is the InChIKey of 1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one?
The InChIKey is ZOQOMCCLZMABGU-FUDHJZNOSA-N. The full InChI is InChI=1S/C6H7NO/c1-2-7-4-3-6(8)5-7/h2-4H,1,5H2/i1D2,2D.
What are the key properties of 1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one?
1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one has a molecular weight of 112.15 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one is sourced from PubChem (CID 10909524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).