azane;prop-1-ene;pyrrolidine-2,5-dione

C7H17N3O2 — CID 66872548

IUPACazane;prop-1-ene;pyrrolidine-2,5-dione
SMILESC=CC.N.N.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C3H6.2H3N/c6-3-1-2-4(7)5-3;1-3-2;;/h1-2H2,(H,5,6,7);3H,1H2,2H3;2*1H3
InChIKeyJOSFMUFSOHZNGQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.94
Rot. Bonds

About azane;prop-1-ene;pyrrolidine-2,5-dione

azane;prop-1-ene;pyrrolidine-2,5-dione (PubChem CID 66872548) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is azane;prop-1-ene;pyrrolidine-2,5-dione.

Molecular Properties

Compound Nameazane;prop-1-ene;pyrrolidine-2,5-dione
PubChem CID66872548
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Nameazane;prop-1-ene;pyrrolidine-2,5-dione
SMILESC=CC.N.N.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C3H6.2H3N/c6-3-1-2-4(7)5-3;1-3-2;;/h1-2H2,(H,5,6,7);3H,1H2,2H3;2*1H3
InChIKeyJOSFMUFSOHZNGQ-UHFFFAOYSA-N
XLogP0.94
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;prop-1-ene;pyrrolidine-2,5-dione?
The IUPAC name of azane;prop-1-ene;pyrrolidine-2,5-dione (CID 66872548) is azane;prop-1-ene;pyrrolidine-2,5-dione.
What is the SMILES notation for azane;prop-1-ene;pyrrolidine-2,5-dione?
The canonical SMILES for azane;prop-1-ene;pyrrolidine-2,5-dione is C=CC.N.N.O=C1CCC(=O)N1.
What is the InChIKey of azane;prop-1-ene;pyrrolidine-2,5-dione?
The InChIKey is JOSFMUFSOHZNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C3H6.2H3N/c6-3-1-2-4(7)5-3;1-3-2;;/h1-2H2,(H,5,6,7);3H,1H2,2H3;2*1H3.
What are the key properties of azane;prop-1-ene;pyrrolidine-2,5-dione?
azane;prop-1-ene;pyrrolidine-2,5-dione has a molecular weight of 175.23 g/mol, XLogP of 0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;prop-1-ene;pyrrolidine-2,5-dione is sourced from PubChem (CID 66872548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).