1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione

C7H10N2O2 — CID 158008507

IUPAC1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione
SMILES[3H]CNCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H10N2O2/c1-8-4-5-9-6(10)2-3-7(9)11/h2-3,8H,4-5H2,1H3/i1T
InChIKeyFEPCRJPVYFSZFH-CNRUNOGKSA-N
MW156.18 g/mol
LogP-0.87
Rot. Bonds4

About 1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione

1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione (PubChem CID 158008507) has the molecular formula C7H10N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione
PubChem CID158008507
Molecular FormulaC7H10N2O2
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione
SMILES[3H]CNCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H10N2O2/c1-8-4-5-9-6(10)2-3-7(9)11/h2-3,8H,4-5H2,1H3/i1T
InChIKeyFEPCRJPVYFSZFH-CNRUNOGKSA-N
XLogP-0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.87
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

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]methanesulfonamide
CID 43546111
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea
CID 142400579
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide
CID 118485994
1-pent-3-ynylpyrrole-2,5-dione
CID 116644372
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
CID 118088116
2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 175693527
1-[2-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-(iodomethyl)phosphoryl]amino]ethyl]pyrrole-2,5-dione
CID 118426472
3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 90457244
1-(2-phosphanylethyl)pyrrole-2,5-dione
CID 170722879
1-butylpyrrole-2,5-dione;silane
CID 160820729
1-hexadecylpyrrole-2,5-dione
CID 4526314
4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine
CID 145076683

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione (CID 158008507) is 1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione is [3H]CNCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione?
The InChIKey is FEPCRJPVYFSZFH-CNRUNOGKSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-8-4-5-9-6(10)2-3-7(9)11/h2-3,8H,4-5H2,1H3/i1T.
What are the key properties of 1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione?
1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione has a molecular weight of 156.18 g/mol, XLogP of -0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 158008507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).