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

C8H16N2O2 — CID 66835333

IUPACazane;2-methylprop-1-ene;pyrrolidine-2,5-dione
SMILESC=C(C)C.N.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C4H8.H3N/c6-3-1-2-4(7)5-3;1-4(2)3;/h1-2H2,(H,5,6,7);1H2,2-3H3;1H3
InChIKeyPNLCWSVLABFCJG-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.17
Rot. Bonds

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

azane;2-methylprop-1-ene;pyrrolidine-2,5-dione (PubChem CID 66835333) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is azane;2-methylprop-1-ene;pyrrolidine-2,5-dione.

Molecular Properties

Compound Nameazane;2-methylprop-1-ene;pyrrolidine-2,5-dione
PubChem CID66835333
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameazane;2-methylprop-1-ene;pyrrolidine-2,5-dione
SMILESC=C(C)C.N.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C4H8.H3N/c6-3-1-2-4(7)5-3;1-4(2)3;/h1-2H2,(H,5,6,7);1H2,2-3H3;1H3
InChIKeyPNLCWSVLABFCJG-UHFFFAOYSA-N
XLogP1.17
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;2-methylprop-1-ene;pyrrolidine-2,5-dione?
The IUPAC name of azane;2-methylprop-1-ene;pyrrolidine-2,5-dione (CID 66835333) is azane;2-methylprop-1-ene;pyrrolidine-2,5-dione.
What is the SMILES notation for azane;2-methylprop-1-ene;pyrrolidine-2,5-dione?
The canonical SMILES for azane;2-methylprop-1-ene;pyrrolidine-2,5-dione is C=C(C)C.N.O=C1CCC(=O)N1.
What is the InChIKey of azane;2-methylprop-1-ene;pyrrolidine-2,5-dione?
The InChIKey is PNLCWSVLABFCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C4H8.H3N/c6-3-1-2-4(7)5-3;1-4(2)3;/h1-2H2,(H,5,6,7);1H2,2-3H3;1H3.
What are the key properties of azane;2-methylprop-1-ene;pyrrolidine-2,5-dione?
azane;2-methylprop-1-ene;pyrrolidine-2,5-dione has a molecular weight of 172.23 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methylprop-1-ene;pyrrolidine-2,5-dione is sourced from PubChem (CID 66835333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).