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

C10H14N2O3 — CID 139748005

IUPAC2,5-dioxo-3-pentylpyrrole-1-carboxamide
SMILESCCCCCC1=CC(=O)N(C(N)=O)C1=O
InChIInChI=1S/C10H14N2O3/c1-2-3-4-5-7-6-8(13)12(9(7)14)10(11)15/h6H,2-5H2,1H3,(H2,11,15)
InChIKeyBCLMSALHVVFBSK-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.94
Rot. Bonds4

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

2,5-dioxo-3-pentylpyrrole-1-carboxamide (PubChem CID 139748005) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2,5-dioxo-3-pentylpyrrole-1-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-3-pentylpyrrole-1-carboxamide
PubChem CID139748005
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2,5-dioxo-3-pentylpyrrole-1-carboxamide
SMILESCCCCCC1=CC(=O)N(C(N)=O)C1=O
InChIInChI=1S/C10H14N2O3/c1-2-3-4-5-7-6-8(13)12(9(7)14)10(11)15/h6H,2-5H2,1H3,(H2,11,15)
InChIKeyBCLMSALHVVFBSK-UHFFFAOYSA-N
XLogP0.94
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
Hexylmaleimide
CID 21880509
N-Carbamoyl-2-ethylidenehexanamide
CID 113609
3-Pentylpyrrole-2,5-dione
CID 21999771
3-[(1-Carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide
CID 23618677
Ethane;3-pentylpyrrole-2,5-dione
CID 68874245
1,3-Dioxo-4,5,6,7-tetrahydroisoindole-2-carboxamide
CID 85753912
N-carbamoyl-5-[(E)-pent-3-enyl]cyclopenta-1,4-diene-1-carboxamide
CID 124128526
N-carbamoyl-5-(3-methylbutyl)cyclopenta-1,4-diene-1-carboxamide
CID 124128533
3-(2-Methylpropyl)-2,5-dioxopyrrole-1-carboxamide
CID 139747969

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-3-pentylpyrrole-1-carboxamide?
The IUPAC name of 2,5-dioxo-3-pentylpyrrole-1-carboxamide (CID 139748005) is 2,5-dioxo-3-pentylpyrrole-1-carboxamide.
What is the SMILES notation for 2,5-dioxo-3-pentylpyrrole-1-carboxamide?
The canonical SMILES for 2,5-dioxo-3-pentylpyrrole-1-carboxamide is CCCCCC1=CC(=O)N(C(N)=O)C1=O.
What is the InChIKey of 2,5-dioxo-3-pentylpyrrole-1-carboxamide?
The InChIKey is BCLMSALHVVFBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-3-4-5-7-6-8(13)12(9(7)14)10(11)15/h6H,2-5H2,1H3,(H2,11,15).
What are the key properties of 2,5-dioxo-3-pentylpyrrole-1-carboxamide?
2,5-dioxo-3-pentylpyrrole-1-carboxamide has a molecular weight of 210.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-3-pentylpyrrole-1-carboxamide is sourced from PubChem (CID 139748005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).