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

C79H154N12O9S3 — CID 160516999

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

cyclohexane;cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide (PubChem CID 160516999) has the molecular formula C79H154N12O9S3 and a molecular weight of 1512.38 g/mol. Its IUPAC name is cyclohexane;cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide.

Molecular Properties

• Compound Name: cyclohexane;cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide
• PubChem CID: 160516999
• Molecular Formula: C79H154N12O9S3
• Molecular Weight: 1512.38 g/mol
• Exact Mass: 1511.11
• IUPAC Name: cyclohexane;cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide
• SMILES: C1=CCC=C1.C1=CCCC1.C1=CN=NC1.C1=COCC1.C1=COCO1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CCCN1.O=S1(=O)C=CC=C1.O=c1[nH]cco1.c1c[nH]cn1.c1cn[nH]c1.c1cnsn1.c1cocn1.c1cscn1
• InChI: InChI=1S/C6H12.C5H8.C5H6.C4H7NO.C4H4O2S.C4H6O.3C3H4N2.C3H3NO2.C3H3NO.C3H3NS.C3H4O2.C2H2N2S.14C2H6/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;6-4-2-1-3-5-4;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;3*1-2-5-3-4-1;1-2-4-5-3-1;14*1-2/h1-6H2;1-2H,3-5H2;1-4H,5H2;1-3H2,(H,5,6);1-4H;1,3H,2,4H2;1-3H,(H,4,5);1-2H,3H2;1-3H,(H,4,5);1-2H,(H,4,5);2*1-3H;1-2H,3H2;1-2H;14*1-2H3
• InChIKey: QTUCGUNVIYLCTR-UHFFFAOYSA-N
• XLogP: 25.77
• TPSA: 283.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1512.38
LogP ≤ 5	25.77
H-Bond Donors ≤ 5	4
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;cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide?

The IUPAC name of cyclohexane;cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide (CID 160516999) is cyclohexane;cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide.

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

The canonical SMILES for cyclohexane;cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide is C1=CCC=C1.C1=CCCC1.C1=CN=NC1.C1=COCC1.C1=COCO1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CCCN1.O=S1(=O)C=CC=C1.O=c1[nH]cco1.c1c[nH]cn1.c1cn[nH]c1.c1cnsn1.c1cocn1.c1cscn1.

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

The InChIKey is QTUCGUNVIYLCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H8.C5H6.C4H7NO.C4H4O2S.C4H6O.3C3H4N2.C3H3NO2.C3H3NO.C3H3NS.C3H4O2.C2H2N2S.14C2H6/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;6-4-2-1-3-5-4;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;3*1-2-5-3-4-1;1-2-4-5-3-1;14*1-2/h1-6H2;1-2H,3-5H2;1-4H,5H2;1-3H2,(H,5,6);1-4H;1,3H,2,4H2;1-3H,(H,4,5);1-2H,3H2;1-3H,(H,4,5);1-2H,(H,4,5);2*1-3H;1-2H,3H2;1-2H;14*1-2H3.

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

cyclohexane;cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide has a molecular weight of 1512.38 g/mol, XLogP of 25.77, 0 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexane;cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,2,5-thiadiazole;1,3-thiazole;thiophene 1,1-dioxide is sourced from PubChem (CID 160516999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).