1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide

C9H14N2O2 — CID 18736868

IUPAC1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide
SMILESCC(C)C(=O)N1CC=CC1C(N)=O
InChIInChI=1S/C9H14N2O2/c1-6(2)9(13)11-5-3-4-7(11)8(10)12/h3-4,6-7H,5H2,1-2H3,(H2,10,12)
InChIKeyJFXKUZXDTUTIKX-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.11
Rot. Bonds2

About 1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide

1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide (PubChem CID 18736868) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide
PubChem CID18736868
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide
SMILESCC(C)C(=O)N1CC=CC1C(N)=O
InChIInChI=1S/C9H14N2O2/c1-6(2)9(13)11-5-3-4-7(11)8(10)12/h3-4,6-7H,5H2,1-2H3,(H2,10,12)
InChIKeyJFXKUZXDTUTIKX-UHFFFAOYSA-N
XLogP-0.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide (CID 18736868) is 1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide is CC(C)C(=O)N1CC=CC1C(N)=O.
What is the InChIKey of 1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is JFXKUZXDTUTIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)9(13)11-5-3-4-7(11)8(10)12/h3-4,6-7H,5H2,1-2H3,(H2,10,12).
What are the key properties of 1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide?
1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 182.22 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 18736868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).