cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,3-thiazole;thiophene 1,1-dioxide

C70H138N12O9S4 — CID 157127688

About cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,3-thiazole;thiophene 1,1-dioxide

cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,3-thiazole;thiophene 1,1-dioxide (PubChem CID 157127688) has the molecular formula C70H138N12O9S4 and a molecular weight of 1420.22 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;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;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,3-thiazole;thiophene 1,1-dioxide
• PubChem CID: 157127688
• Molecular Formula: C70H138N12O9S4
• Molecular Weight: 1420.22 g/mol
• Exact Mass: 1418.96
• IUPAC Name: cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;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.CC.CC.O=C1CCCN1.O=S1(=O)C=CC=C1.O=S1NC=CO1.[H]/N=C/C=NS.c1c[nH]cn1.c1cn[nH]c1.c1cocn1.c1cscn1
• InChI: InChI=1S/C5H8.C5H6.C4H7NO.C4H4O2S.C4H6O.3C3H4N2.C3H3NO.C3H3NS.C3H4O2.C2H4N2S.C2H3NO2S.13C2H6/c2*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;3*1-2-5-3-4-1;3-1-2-4-5;4-6-3-1-2-5-6;13*1-2/h1-2H,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);2*1-3H;1-2H,3H2;1-3,5H;1-3H;13*1-2H3/b;;;;;;;;;;;3-1+,4-2?
• InChIKey: AIRSPFYKOZMIKR-DWUXSUSZSA-N
• XLogP: 22.10
• TPSA: 286.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 1
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1420.22
LogP ≤ 5	22.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', '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;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;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;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,3-thiazole;thiophene 1,1-dioxide (CID 157127688) is cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;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;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;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;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;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.CC.CC.O=C1CCCN1.O=S1(=O)C=CC=C1.O=S1NC=CO1.[H]/N=C/C=NS.c1c[nH]cn1.c1cn[nH]c1.c1cocn1.c1cscn1.

What is the InChIKey of cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,3-thiazole;thiophene 1,1-dioxide?

The InChIKey is AIRSPFYKOZMIKR-DWUXSUSZSA-N. The full InChI is InChI=1S/C5H8.C5H6.C4H7NO.C4H4O2S.C4H6O.3C3H4N2.C3H3NO.C3H3NS.C3H4O2.C2H4N2S.C2H3NO2S.13C2H6/c2*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;3*1-2-5-3-4-1;3-1-2-4-5;4-6-3-1-2-5-6;13*1-2/h1-2H,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);2*1-3H;1-2H,3H2;1-3,5H;1-3H;13*1-2H3/b;;;;;;;;;;;3-1+,4-2?;;;;;;;;;;;;;;.

What are the key properties of cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,3-thiazole;thiophene 1,1-dioxide?

cyclopenta-1,3-diene;cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,3-thiazole;thiophene 1,1-dioxide has a molecular weight of 1420.22 g/mol, XLogP of 22.10, 1 rotatable bonds, 6 hydrogen bond donors, and 19 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;N-(2-iminoethylidene)thiohydroxylamine;3H-oxathiazole 2-oxide;1,3-oxazole;1H-pyrazole;3H-pyrazole;pyrrolidin-2-one;1,3-thiazole;thiophene 1,1-dioxide is sourced from PubChem (CID 157127688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).