propan-1-amine;pyrrole-2,5-dione

C7H12N2O2 — CID 159802360

IUPACpropan-1-amine;pyrrole-2,5-dione
SMILESCCCN.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C3H9N/c6-3-1-2-4(7)5-3;1-2-3-4/h1-2H,(H,5,6,7);2-4H2,1H3
InChIKeyNJYLEDQOPAAPQD-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.45
Rot. Bonds1

About propan-1-amine;pyrrole-2,5-dione

propan-1-amine;pyrrole-2,5-dione (PubChem CID 159802360) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is propan-1-amine;pyrrole-2,5-dione.

Molecular Properties

Compound Namepropan-1-amine;pyrrole-2,5-dione
PubChem CID159802360
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Namepropan-1-amine;pyrrole-2,5-dione
SMILESCCCN.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C3H9N/c6-3-1-2-4(7)5-3;1-2-3-4/h1-2H,(H,5,6,7);2-4H2,1H3
InChIKeyNJYLEDQOPAAPQD-UHFFFAOYSA-N
XLogP-0.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Aminoethyl)maleimide
CID 2778791
n-Ethylmaleamide
CID 46940416
N'-ethylbut-2-enediamide
CID 54041693
1-(3-aminopropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 22377079
N'-butylbut-2-enediamide
CID 54509665
N'-propylbut-2-enediamide
CID 54527770
N'-propan-2-ylbut-2-enediamide
CID 123472927
But-2-enedioic acid bis-allylamide
CID 6026599
(E)-N,N'-dipropylbut-2-enediamide
CID 6083413
(E)-N-acetylbut-2-enamide
CID 13584878
N,N'-bis(prop-2-enyl)but-2-enediamide
CID 294451
N,N'-dipropylbut-2-enediamide
CID 315712

Frequently Asked Questions

What is the IUPAC name of propan-1-amine;pyrrole-2,5-dione?
The IUPAC name of propan-1-amine;pyrrole-2,5-dione (CID 159802360) is propan-1-amine;pyrrole-2,5-dione.
What is the SMILES notation for propan-1-amine;pyrrole-2,5-dione?
The canonical SMILES for propan-1-amine;pyrrole-2,5-dione is CCCN.O=C1C=CC(=O)N1.
What is the InChIKey of propan-1-amine;pyrrole-2,5-dione?
The InChIKey is NJYLEDQOPAAPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.C3H9N/c6-3-1-2-4(7)5-3;1-2-3-4/h1-2H,(H,5,6,7);2-4H2,1H3.
What are the key properties of propan-1-amine;pyrrole-2,5-dione?
propan-1-amine;pyrrole-2,5-dione has a molecular weight of 156.19 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-amine;pyrrole-2,5-dione is sourced from PubChem (CID 159802360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).