5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline

C77H112N12O2 — CID 159771276

IUPAC5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline
SMILESCC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCc2ccccc21.CC(C)N1Cc2ccccc2C1.CC(C)N1Cc2cccnc2C1.CC(C)c1ccc2c(c1)COC2.CC(C)c1cccc2nccnc12.CC(C)n1ncc2ccncc21
InChIInChI=1S/C11H12N2.2C11H15N.C11H14O.C10H14N2.C9H11N3.C7H16N2.C7H15NO/c1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)12-9-6-10-4-3-8(9)5-11-12;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/h3-8H,1-2H3;2*3-6,9H,7-8H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyNGDIRECXSQPHMS-UHFFFAOYSA-N
MW1237.82 g/mol
LogP15.31
Rot. Bonds8

About 5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline

5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline (PubChem CID 159771276) has the molecular formula C77H112N12O2 and a molecular weight of 1237.82 g/mol. Its IUPAC name is 5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline.

Molecular Properties

Compound Name5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline
PubChem CID159771276
Molecular FormulaC77H112N12O2
Molecular Weight1237.82 g/mol
Exact Mass1236.90
IUPAC Name5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline
SMILESCC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCc2ccccc21.CC(C)N1Cc2ccccc2C1.CC(C)N1Cc2cccnc2C1.CC(C)c1ccc2c(c1)COC2.CC(C)c1cccc2nccnc12.CC(C)n1ncc2ccncc21
InChIInChI=1S/C11H12N2.2C11H15N.C11H14O.C10H14N2.C9H11N3.C7H16N2.C7H15NO/c1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)12-9-6-10-4-3-8(9)5-11-12;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/h3-8H,1-2H3;2*3-6,9H,7-8H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyNGDIRECXSQPHMS-UHFFFAOYSA-N
XLogP15.31
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001237.82
LogP ≤ 515.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline?
The IUPAC name of 5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline (CID 159771276) is 5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline.
What is the SMILES notation for 5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline?
The canonical SMILES for 5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline is CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCc2ccccc21.CC(C)N1Cc2ccccc2C1.CC(C)N1Cc2cccnc2C1.CC(C)c1ccc2c(c1)COC2.CC(C)c1cccc2nccnc12.CC(C)n1ncc2ccncc21.
What is the InChIKey of 5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline?
The InChIKey is NGDIRECXSQPHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.2C11H15N.C11H14O.C10H14N2.C9H11N3.C7H16N2.C7H15NO/c1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)12-9-6-10-4-3-8(9)5-11-12;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/h3-8H,1-2H3;2*3-6,9H,7-8H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline?
5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline has a molecular weight of 1237.82 g/mol, XLogP of 15.31, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3-dihydro-2-benzofuran;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpyrazolo[5,4-c]pyridine;5-propan-2-ylquinoxaline is sourced from PubChem (CID 159771276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).