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

C9H15NO2 — CID 157322302

IUPACethene;prop-1-ene;pyrrolidine-2,5-dione
SMILESC=C.C=CC.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C3H6.C2H4/c6-3-1-2-4(7)5-3;1-3-2;1-2/h1-2H2,(H,5,6,7);3H,1H2,2H3;1-2H2
InChIKeyBEHSMNXIWWWOJK-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.42
Rot. Bonds

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

ethene;prop-1-ene;pyrrolidine-2,5-dione (PubChem CID 157322302) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethene;prop-1-ene;pyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethene;prop-1-ene;pyrrolidine-2,5-dione
PubChem CID157322302
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethene;prop-1-ene;pyrrolidine-2,5-dione
SMILESC=C.C=CC.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C3H6.C2H4/c6-3-1-2-4(7)5-3;1-3-2;1-2/h1-2H2,(H,5,6,7);3H,1H2,2H3;1-2H2
InChIKeyBEHSMNXIWWWOJK-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methylprop-1-ene;pyrrolidine-2,5-dione
CID 22145183
Azane;ethene;pyrrolidine-2,5-dione
CID 20336216
But-1-ene;pyrrolidine-2,5-dione
CID 21867892
Azane;2-methylprop-1-ene;pyrrolidine-2,5-dione
CID 66835333
Azane;prop-1-ene;pyrrolidine-2,5-dione
CID 66872548
Ethene;2-methylprop-1-ene;pyrrolidine-2,5-dione
CID 69907638
Ethene;pyrrolidine-2,5-dione
CID 70039943
Dihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione
CID 87689592
Prop-1-ene;pyrrolidine-2,5-dione
CID 90240369
Prop-2-enamide;pyrrolidine-2,5-dione
CID 141499533
3-(Indigol-1-yl)pyrrolidine-2,5-dione
CID 141521413
ethane;(3Z,5Z)-hepta-1,3,5-triene;pyrrolidine-2,5-dione
CID 142133456

Frequently Asked Questions

What is the IUPAC name of ethene;prop-1-ene;pyrrolidine-2,5-dione?
The IUPAC name of ethene;prop-1-ene;pyrrolidine-2,5-dione (CID 157322302) is ethene;prop-1-ene;pyrrolidine-2,5-dione.
What is the SMILES notation for ethene;prop-1-ene;pyrrolidine-2,5-dione?
The canonical SMILES for ethene;prop-1-ene;pyrrolidine-2,5-dione is C=C.C=CC.O=C1CCC(=O)N1.
What is the InChIKey of ethene;prop-1-ene;pyrrolidine-2,5-dione?
The InChIKey is BEHSMNXIWWWOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C3H6.C2H4/c6-3-1-2-4(7)5-3;1-3-2;1-2/h1-2H2,(H,5,6,7);3H,1H2,2H3;1-2H2.
What are the key properties of ethene;prop-1-ene;pyrrolidine-2,5-dione?
ethene;prop-1-ene;pyrrolidine-2,5-dione has a molecular weight of 169.22 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;prop-1-ene;pyrrolidine-2,5-dione is sourced from PubChem (CID 157322302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).