ethane-1,2-diamine;pyrrole-2,5-dione

C6H11N3O2 — CID 67678586

IUPACethane-1,2-diamine;pyrrole-2,5-dione
SMILESNCCN.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C2H8N2/c6-3-1-2-4(7)5-3;3-1-2-4/h1-2H,(H,5,6,7);1-4H2
InChIKeyDDYYPTLTEFAEOJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.90
Rot. Bonds1

About ethane-1,2-diamine;pyrrole-2,5-dione

ethane-1,2-diamine;pyrrole-2,5-dione (PubChem CID 67678586) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is ethane-1,2-diamine;pyrrole-2,5-dione.

Molecular Properties

Compound Nameethane-1,2-diamine;pyrrole-2,5-dione
PubChem CID67678586
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Nameethane-1,2-diamine;pyrrole-2,5-dione
SMILESNCCN.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C2H8N2/c6-3-1-2-4(7)5-3;3-1-2-4/h1-2H,(H,5,6,7);1-4H2
InChIKeyDDYYPTLTEFAEOJ-UHFFFAOYSA-N
XLogP-1.90
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 22118207
N-(2-Aminoethyl)maleimide
CID 2778791
N-glycinyl maleimide
CID 18967971
N-Glycylprop-2-enamide
CID 21983431
n-Ethylmaleamide
CID 46940416
N'-ethylbut-2-enediamide
CID 54041693
N-(2-Aminopropyl)maleimide
CID 22377079
N'-propylbut-2-enediamide
CID 54527770
But-2-enedioic acid bis-allylamide
CID 6026599
N,N'-bis(prop-2-enyl)but-2-enediamide
CID 294451
2-(2,5-Dioxopyrrol-1-yl)ethylazanium
CID 5195065
1-[2-(Ethylamino)acetyl]pyrrole-2,5-dione
CID 18967970

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;pyrrole-2,5-dione?
The IUPAC name of ethane-1,2-diamine;pyrrole-2,5-dione (CID 67678586) is ethane-1,2-diamine;pyrrole-2,5-dione.
What is the SMILES notation for ethane-1,2-diamine;pyrrole-2,5-dione?
The canonical SMILES for ethane-1,2-diamine;pyrrole-2,5-dione is NCCN.O=C1C=CC(=O)N1.
What is the InChIKey of ethane-1,2-diamine;pyrrole-2,5-dione?
The InChIKey is DDYYPTLTEFAEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.C2H8N2/c6-3-1-2-4(7)5-3;3-1-2-4/h1-2H,(H,5,6,7);1-4H2.
What are the key properties of ethane-1,2-diamine;pyrrole-2,5-dione?
ethane-1,2-diamine;pyrrole-2,5-dione has a molecular weight of 157.17 g/mol, XLogP of -1.90, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;pyrrole-2,5-dione is sourced from PubChem (CID 67678586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).