cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide

C60H114N10O7S3 — CID 157471009

About cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide

cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide (PubChem CID 157471009) has the molecular formula C60H114N10O7S3 and a molecular weight of 1183.84 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide.

Molecular Properties

• Compound Name: cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide
• PubChem CID: 157471009
• Molecular Formula: C60H114N10O7S3
• Molecular Weight: 1183.84 g/mol
• Exact Mass: 1182.80
• IUPAC Name: cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide
• SMILES: C1=CCC=C1.C1=CCCC1.C1=CN=NC1.C1=COCC1.C1=COCO1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=S1(=O)C=CC=C1.O=c1[nH]cco1.c1c[nH]cn1.c1cn[nH]c1.c1cnsn1.c1cscn1
• InChI: InChI=1S/C5H8.C5H6.C4H4O2S.C4H6O.3C3H4N2.C3H3NO2.C3H3NS.C3H4O2.C2H2N2S.11C2H6/c2*1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;5-3-4-1-2-6-3;2*1-2-5-3-4-1;1-2-4-5-3-1;11*1-2/h1-2H,3-5H2;1-4H,5H2;1-4H;1,3H,2,4H2;1-3H,(H,4,5);1-2H,3H2;1-3H,(H,4,5);1-2H,(H,4,5);1-3H;1-2H,3H2;1-2H;11*1-2H3
• InChIKey: BVAQFKVHAGZZER-UHFFFAOYSA-N
• XLogP: 19.78
• TPSA: 228.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1183.84
LogP ≤ 5	19.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide?

The IUPAC name of cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide (CID 157471009) is cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide.

What is the SMILES notation for cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide?

The canonical SMILES for cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide is C1=CCC=C1.C1=CCCC1.C1=CN=NC1.C1=COCC1.C1=COCO1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=S1(=O)C=CC=C1.O=c1[nH]cco1.c1c[nH]cn1.c1cn[nH]c1.c1cnsn1.c1cscn1.

What is the InChIKey of cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide?

The InChIKey is BVAQFKVHAGZZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.C5H6.C4H4O2S.C4H6O.3C3H4N2.C3H3NO2.C3H3NS.C3H4O2.C2H2N2S.11C2H6/c2*1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;5-3-4-1-2-6-3;2*1-2-5-3-4-1;1-2-4-5-3-1;11*1-2/h1-2H,3-5H2;1-4H,5H2;1-4H;1,3H,2,4H2;1-3H,(H,4,5);1-2H,3H2;1-3H,(H,4,5);1-2H,(H,4,5);1-3H;1-2H,3H2;1-2H;11*1-2H3.

What are the key properties of cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide?

cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide has a molecular weight of 1183.84 g/mol, XLogP of 19.78, 0 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide is sourced from PubChem (CID 157471009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).