3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide

C14H16N2O4 — CID 142554994

IUPAC3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide
SMILESC=CC1=C(C=C)C(=O)N(C2CC(OC)(C(N)=O)C2)C1=O
InChIInChI=1S/C14H16N2O4/c1-4-9-10(5-2)12(18)16(11(9)17)8-6-14(7-8,20-3)13(15)19/h4-5,8H,1-2,6-7H2,3H3,(H2,15,19)
InChIKeyUOPJPNRUOPQWIM-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.06
Rot. Bonds5

About 3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide

3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide (PubChem CID 142554994) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide
PubChem CID142554994
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide
SMILESC=CC1=C(C=C)C(=O)N(C2CC(OC)(C(N)=O)C2)C1=O
InChIInChI=1S/C14H16N2O4/c1-4-9-10(5-2)12(18)16(11(9)17)8-6-14(7-8,20-3)13(15)19/h4-5,8H,1-2,6-7H2,3H3,(H2,15,19)
InChIKeyUOPJPNRUOPQWIM-UHFFFAOYSA-N
XLogP0.06
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-methoxycyclobutane-1-carboxamide
CID 142554999
4-methoxy-1-methylpiperidine-4-carboxamide
CID 89303192
5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione
CID 91408352
3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione
CID 144985941
methyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate
CID 155350963
(3S)-5-methoxy-3-(2-methylpropyl)-1,2-oxazolidine-5-carboxamide
CID 118336905
3,4-bis(ethenyl)-1-[(3S)-1-methyl-2-oxo-4,5-dihydro-3H-azepin-3-yl]pyrrole-2,5-dione
CID 145225150
tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane
CID 143006218
1-methoxycyclobutane-1-carboxamide;1-methoxy-N-methylcyclobutane-1-carboxamide
CID 160973197
1-[(6aR,10aR)-6a-hydroxy-2-methoxy-6,10a-dimethyl-5,6,7,8,9,10,11,11b-octahydro-4aH-benzo[b]carbazol-8-yl]-3-ethenyl-4-methylpyrrole-2,5-dione
CID 176717278
3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one
CID 143303962
methyl (6R,8aS)-6-hydroxy-2,3-dimethoxy-2,3-dimethyl-8-oxo-4a,5,7,8a-tetrahydrobenzo[b][1,4]dioxine-6-carboxylate
CID 6612753

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide?
The IUPAC name of 3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide (CID 142554994) is 3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide.
What is the SMILES notation for 3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide?
The canonical SMILES for 3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide is C=CC1=C(C=C)C(=O)N(C2CC(OC)(C(N)=O)C2)C1=O.
What is the InChIKey of 3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide?
The InChIKey is UOPJPNRUOPQWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-4-9-10(5-2)12(18)16(11(9)17)8-6-14(7-8,20-3)13(15)19/h4-5,8H,1-2,6-7H2,3H3,(H2,15,19).
What are the key properties of 3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide?
3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide is sourced from PubChem (CID 142554994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).