but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C16H18N2O4 — CID 145379100

IUPACbut-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCC.CC=CC.O=c1[nH]c(=O)c2cc3c(=O)[nH]c(=O)c3cc12
InChIInChI=1S/C10H4N2O4.C4H8.C2H6/c13-7-3-1-4-6(10(16)12-8(4)14)2-5(3)9(15)11-7;1-3-4-2;1-2/h1-2H,(H,11,13,15)(H,12,14,16);3-4H,1-2H3;1-2H3
InChIKeySWMMHZZVSCLHCO-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.57
Rot. Bonds

About but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 145379100) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Namebut-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID145379100
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Namebut-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCC.CC=CC.O=c1[nH]c(=O)c2cc3c(=O)[nH]c(=O)c3cc12
InChIInChI=1S/C10H4N2O4.C4H8.C2H6/c13-7-3-1-4-6(10(16)12-8(4)14)2-5(3)9(15)11-7;1-3-4-2;1-2/h1-2H,(H,11,13,15)(H,12,14,16);3-4H,1-2H3;1-2H3
InChIKeySWMMHZZVSCLHCO-UHFFFAOYSA-N
XLogP1.57
TPSA99.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone 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

CID 174024110
CID 174024110
8,15,22,29-tetrazaundecacyclo[18.14.1.16,32.02,18.03,12.04,33.05,10.013,17.024,35.026,34.027,31]hexatriaconta-1,3,5(10),6(36),11,13(17),18,20(35),24,26(34),27(31),32-dodecaene-7,9,14,16,21,23,28,30-octone
CID 102195035
6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione
CID 126745004
2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 170189407
7-azatetracyclo[11.3.1.05,16.09,14]heptadeca-1(17),2,4,9,11,13,15-heptaene-6,8-dione
CID 173336202
7-prop-1-enyl-1H-quinazoline-2,4-dione
CID 54401687
2-(2-sulfanylethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 12944370
2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 163300388
2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide
CID 12944374
(Z)-but-2-ene;ethane
CID 90897883
ethane;3-methyl-2H-isoquinolin-1-one
CID 144810835
2-(2,3-dihydroxypropyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 12944365

Frequently Asked Questions

What is the IUPAC name of but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 145379100) is but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is CC.CC=CC.O=c1[nH]c(=O)c2cc3c(=O)[nH]c(=O)c3cc12.
What is the InChIKey of but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is SWMMHZZVSCLHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N2O4.C4H8.C2H6/c13-7-3-1-4-6(10(16)12-8(4)14)2-5(3)9(15)11-7;1-3-4-2;1-2/h1-2H,(H,11,13,15)(H,12,14,16);3-4H,1-2H3;1-2H3.
What are the key properties of but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 302.33 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 145379100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).