cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole

C76H151N15O9S3 — CID 158571755

About cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole

cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole (PubChem CID 158571755) has the molecular formula C76H151N15O9S3 and a molecular weight of 1515.34 g/mol. Its IUPAC name is cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole.

Molecular Properties

• Compound Name: cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole
• PubChem CID: 158571755
• Molecular Formula: C76H151N15O9S3
• Molecular Weight: 1515.34 g/mol
• Exact Mass: 1514.10
• IUPAC Name: cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole
• SMILES: C1=CCCC1.C1=COCC1.C1=COCO1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1NCCN1.O=S1(=O)C=CC=C1.O=c1[nH]cco1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cnsn1.c1cocn1.c1cscn1
• InChI: InChI=1S/C6H12.C5H8.C4H5N.C4H4O2S.C4H6O.C3H6N2O.2C3H4N2.C3H3NO2.C3H3NO.C3H3NS.C3H4O2.C2H3N3.C2H2N2S.14C2H6/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-4-5-3-1;6-3-4-1-2-5-3;1-2-5-3-4-1;1-2-4-5-3-1;5-3-4-1-2-6-3;3*1-2-5-3-4-1;2*1-2-4-5-3-1;14*1-2/h1-6H2;1-2H,3-5H2;1-5H;1-4H;1,3H,2,4H2;1-2H2,(H2,4,5,6);2*1-3H,(H,4,5);1-2H,(H,4,5);2*1-3H;1-2H,3H2;1-2H,(H,3,4,5);1-2H;14*1-2H3
• InChIKey: HSDXWRUXYBECLV-UHFFFAOYSA-N
• XLogP: 23.52
• TPSA: 328.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1515.34
LogP ≤ 5	23.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole?

The IUPAC name of cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole (CID 158571755) is cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole.

What is the SMILES notation for cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole?

The canonical SMILES for cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole is C1=CCCC1.C1=COCC1.C1=COCO1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1NCCN1.O=S1(=O)C=CC=C1.O=c1[nH]cco1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cnsn1.c1cocn1.c1cscn1.

What is the InChIKey of cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole?

The InChIKey is HSDXWRUXYBECLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H8.C4H5N.C4H4O2S.C4H6O.C3H6N2O.2C3H4N2.C3H3NO2.C3H3NO.C3H3NS.C3H4O2.C2H3N3.C2H2N2S.14C2H6/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-4-5-3-1;6-3-4-1-2-5-3;1-2-5-3-4-1;1-2-4-5-3-1;5-3-4-1-2-6-3;3*1-2-5-3-4-1;2*1-2-4-5-3-1;14*1-2/h1-6H2;1-2H,3-5H2;1-5H;1-4H;1,3H,2,4H2;1-2H2,(H2,4,5,6);2*1-3H,(H,4,5);1-2H,(H,4,5);2*1-3H;1-2H,3H2;1-2H,(H,3,4,5);1-2H;14*1-2H3.

What are the key properties of cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole?

cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole has a molecular weight of 1515.34 g/mol, XLogP of 23.52, 0 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexane;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;imidazolidin-2-one;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole is sourced from PubChem (CID 158571755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).