1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione

C14H12N2O2 — CID 12745505

IUPAC1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CC=CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H12N2O2/c17-13(14(18)16-7-3-4-8-16)11-9-15-12-6-2-1-5-10(11)12/h1-6,9,15H,7-8H2
InChIKeyLXUXEXFZSIQHPM-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.75
Rot. Bonds2

About 1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione

1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione (PubChem CID 12745505) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
PubChem CID12745505
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CC=CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H12N2O2/c17-13(14(18)16-7-3-4-8-16)11-9-15-12-6-2-1-5-10(11)12/h1-6,9,15H,7-8H2
InChIKeyLXUXEXFZSIQHPM-UHFFFAOYSA-N
XLogP1.75
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethane-1,2-dione
CID 7038521
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 7117259
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 7087091
1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 166303520
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione
CID 90558746
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 113207628
1-(1H-indol-3-yl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethane-1,2-dione
CID 45486636
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
1-(1H-indol-3-yl)-2-[4-(4-propylbenzoyl)piperazin-1-yl]ethane-1,2-dione
CID 45486648
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 43981443

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione (CID 12745505) is 1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione is O=C(C(=O)N1CC=CC1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is LXUXEXFZSIQHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-13(14(18)16-7-3-4-8-16)11-9-15-12-6-2-1-5-10(11)12/h1-6,9,15H,7-8H2.
What are the key properties of 1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione?
1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 240.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 12745505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).