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

C10H16N2O2 — CID 67129508

IUPAC1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione
SMILESCC(C)(C)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)11-6-7-12-8(13)4-5-9(12)14/h4-5,11H,6-7H2,1-3H3
InChIKeyMSZPKICENJSTFP-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.30
Rot. Bonds3

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

1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione (PubChem CID 67129508) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione
PubChem CID67129508
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione
SMILESCC(C)(C)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)11-6-7-12-8(13)4-5-9(12)14/h4-5,11H,6-7H2,1-3H3
InChIKeyMSZPKICENJSTFP-UHFFFAOYSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione (CID 67129508) is 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione is CC(C)(C)NCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione?
The InChIKey is MSZPKICENJSTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)11-6-7-12-8(13)4-5-9(12)14/h4-5,11H,6-7H2,1-3H3.
What are the key properties of 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione?
1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 67129508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).