2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene

C158H267N7O5S — CID 158148083

About 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene

2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene (PubChem CID 158148083) has the molecular formula C158H267N7O5S and a molecular weight of 2376.98 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene
• PubChem CID: 158148083
• Molecular Formula: C158H267N7O5S
• Molecular Weight: 2376.98 g/mol
• Exact Mass: 2375.06
• IUPAC Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene
• SMILES: C1CCC2CCCC2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c(cn1)CCC2.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2c(c1)OCO2.c1ccc2ccccc2c1.c1ccc2ocnc2c1.c1ccc2ocnc2c1.c1cnc2c(c1)CCC2
• InChI: InChI=1S/C10H12.C10H8.C9H16.C9H10.3C8H9N.C8H8O.C8H8S.C7H6N2.2C7H5NO.C7H6O2.26C2H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-5-9-7-3-6-8(9)4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)5-8-9-7;3*1-2-4-7-6(3-1)8-5-9-7;26*1-2/h1-2,5-6H,3-4,7-8H2;1-8H;8-9H,1-7H2;1-2,4-5H,3,6-7H2;2,4,6H,1,3,5H2;4-6H,1-3H2;1-4,9H,5-6H2;2*1-4H,5-6H2;1-5H,(H,8,9);2*1-5H;1-4H,5H2;26*1-2H3
• InChIKey: FUTLKVOBFMNMDK-UHFFFAOYSA-N
• XLogP: 52.62
• TPSA: 146.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2376.98
LogP ≤ 5	52.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene (CID 158148083) is 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene is C1CCC2CCCC2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c(cn1)CCC2.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2c(c1)OCO2.c1ccc2ccccc2c1.c1ccc2ocnc2c1.c1ccc2ocnc2c1.c1cnc2c(c1)CCC2.

What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene?

The InChIKey is FUTLKVOBFMNMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C10H8.C9H16.C9H10.3C8H9N.C8H8O.C8H8S.C7H6N2.2C7H5NO.C7H6O2.26C2H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-5-9-7-3-6-8(9)4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)5-8-9-7;3*1-2-4-7-6(3-1)8-5-9-7;26*1-2/h1-2,5-6H,3-4,7-8H2;1-8H;8-9H,1-7H2;1-2,4-5H,3,6-7H2;2,4,6H,1,3,5H2;4-6H,1-3H2;1-4,9H,5-6H2;2*1-4H,5-6H2;1-5H,(H,8,9);2*1-5H;1-4H,5H2;26*1-2H3.

What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene?

2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene has a molecular weight of 2376.98 g/mol, XLogP of 52.62, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,3-benzodioxole;bis(1,3-benzoxazole);2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158148083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).