2,5-dioxo-3-propylpyrrole-1-carboxamide

C8H10N2O3 — CID 139747999

IUPAC2,5-dioxo-3-propylpyrrole-1-carboxamide
SMILESCCCC1=CC(=O)N(C(N)=O)C1=O
InChIInChI=1S/C8H10N2O3/c1-2-3-5-4-6(11)10(7(5)12)8(9)13/h4H,2-3H2,1H3,(H2,9,13)
InChIKeyLVRBOOJHTAHOHY-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.16
Rot. Bonds2

About 2,5-dioxo-3-propylpyrrole-1-carboxamide

2,5-dioxo-3-propylpyrrole-1-carboxamide (PubChem CID 139747999) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2,5-dioxo-3-propylpyrrole-1-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-3-propylpyrrole-1-carboxamide
PubChem CID139747999
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2,5-dioxo-3-propylpyrrole-1-carboxamide
SMILESCCCC1=CC(=O)N(C(N)=O)C1=O
InChIInChI=1S/C8H10N2O3/c1-2-3-5-4-6(11)10(7(5)12)8(9)13/h4H,2-3H2,1H3,(H2,9,13)
InChIKeyLVRBOOJHTAHOHY-UHFFFAOYSA-N
XLogP0.16
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Urea, 1-(2-ethylideneheptanoyl)-
CID 6366651
Urea, 1-(2-ethylidenehexanoyl)-
CID 6437787
Urea, 1-(2-ethylidenevaleryl)-
CID 24847543
Propyl maleimide
CID 21880478
N-Carbamoyl-2-ethylidenehexanamide
CID 113609
3-[(1-Carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide
CID 23618677
3-(2-Methylprop-2-enyl)pyrrole-2,5-dione
CID 69536456
N-carbamoyl-5-[(E)-pent-3-enyl]cyclopenta-1,4-diene-1-carboxamide
CID 124128526
3-(2-Methylpropyl)-2,5-dioxopyrrole-1-carboxamide
CID 139747969
3-Tert-butyl-2,5-dioxopyrrole-1-carboxamide
CID 139747973
3,4-Bis(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide
CID 139747975
3-Octyl-2,5-dioxopyrrole-1-carboxamide
CID 139747978

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-3-propylpyrrole-1-carboxamide?
The IUPAC name of 2,5-dioxo-3-propylpyrrole-1-carboxamide (CID 139747999) is 2,5-dioxo-3-propylpyrrole-1-carboxamide.
What is the SMILES notation for 2,5-dioxo-3-propylpyrrole-1-carboxamide?
The canonical SMILES for 2,5-dioxo-3-propylpyrrole-1-carboxamide is CCCC1=CC(=O)N(C(N)=O)C1=O.
What is the InChIKey of 2,5-dioxo-3-propylpyrrole-1-carboxamide?
The InChIKey is LVRBOOJHTAHOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-3-5-4-6(11)10(7(5)12)8(9)13/h4H,2-3H2,1H3,(H2,9,13).
What are the key properties of 2,5-dioxo-3-propylpyrrole-1-carboxamide?
2,5-dioxo-3-propylpyrrole-1-carboxamide has a molecular weight of 182.18 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-3-propylpyrrole-1-carboxamide is sourced from PubChem (CID 139747999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).