6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine

C70H94N10O2S2 — CID 159349755

IUPAC6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine
SMILESCC.CC.CC.CC.CC1COc2cccnc21.CC1CSc2cccnc21.CC1OCc2cccnc21.CC1SCc2cccnc21.c1ccc2c(c1)CCN2.c1cnc2c(c1)CCC2.c1cnc2c(c1)NCC2.c1cnc2c(n1)CCC2
InChIInChI=1S/2C8H9NO.2C8H9NS.2C8H9N.2C7H8N2.4C2H6/c1-6-8-7(5-10-6)3-2-4-9-8;1-6-5-10-7-3-2-4-9-8(6)7;1-6-8-7(5-10-6)3-2-4-9-8;1-6-5-10-7-3-2-4-9-8(6)7;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-2-6-7(3-1)9-5-4-8-6;4*1-2/h4*2-4,6H,5H2,1H3;2,4,6H,1,3,5H2;1-4,9H,5-6H2;1-2,4,9H,3,5H2;4-5H,1-3H2;4*1-2H3
InChIKeyLHEHZHILTGEEDW-UHFFFAOYSA-N
MW1171.72 g/mol
LogP17.28
Rot. Bonds

About 6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine

6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine (PubChem CID 159349755) has the molecular formula C70H94N10O2S2 and a molecular weight of 1171.72 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine
PubChem CID159349755
Molecular FormulaC70H94N10O2S2
Molecular Weight1171.72 g/mol
Exact Mass1170.70
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine
SMILESCC.CC.CC.CC.CC1COc2cccnc21.CC1CSc2cccnc21.CC1OCc2cccnc21.CC1SCc2cccnc21.c1ccc2c(c1)CCN2.c1cnc2c(c1)CCC2.c1cnc2c(c1)NCC2.c1cnc2c(n1)CCC2
InChIInChI=1S/2C8H9NO.2C8H9NS.2C8H9N.2C7H8N2.4C2H6/c1-6-8-7(5-10-6)3-2-4-9-8;1-6-5-10-7-3-2-4-9-8(6)7;1-6-8-7(5-10-6)3-2-4-9-8;1-6-5-10-7-3-2-4-9-8(6)7;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-2-6-7(3-1)9-5-4-8-6;4*1-2/h4*2-4,6H,5H2,1H3;2,4,6H,1,3,5H2;1-4,9H,5-6H2;1-2,4,9H,3,5H2;4-5H,1-3H2;4*1-2H3
InChIKeyLHEHZHILTGEEDW-UHFFFAOYSA-N
XLogP17.28
TPSA145.64 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001171.72
LogP ≤ 517.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine (CID 159349755) is 6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine is CC.CC.CC.CC.CC1COc2cccnc21.CC1CSc2cccnc21.CC1OCc2cccnc21.CC1SCc2cccnc21.c1ccc2c(c1)CCN2.c1cnc2c(c1)CCC2.c1cnc2c(c1)NCC2.c1cnc2c(n1)CCC2.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine?
The InChIKey is LHEHZHILTGEEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9NO.2C8H9NS.2C8H9N.2C7H8N2.4C2H6/c1-6-8-7(5-10-6)3-2-4-9-8;1-6-5-10-7-3-2-4-9-8(6)7;1-6-8-7(5-10-6)3-2-4-9-8;1-6-5-10-7-3-2-4-9-8(6)7;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-2-6-7(3-1)9-5-4-8-6;4*1-2/h4*2-4,6H,5H2,1H3;2,4,6H,1,3,5H2;1-4,9H,5-6H2;1-2,4,9H,3,5H2;4-5H,1-3H2;4*1-2H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine?
6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine has a molecular weight of 1171.72 g/mol, XLogP of 17.28, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine is sourced from PubChem (CID 159349755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).