1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine

C103H179N9O2 — CID 160941516

IUPAC1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine
SMILESCC(C)(C)C1C(=O)NCCN1C(C)(C)C.CC(C)(C)C1C(=O)Nc2ccccc2N1C(C)(C)C.CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1CCc2ccccc2N1C(C)(C)C.CC(C)(C)C1Cc2ccccc2N1C(C)(C)C.CC(C)(C)C1c2ccccc2CCN1C(C)(C)C
InChIInChI=1S/2C17H27N.C16H24N2O.C16H25N.C13H27N.C12H24N2O.C12H25N/c1-16(2,3)15-14-10-8-7-9-13(14)11-12-18(15)17(4,5)6;1-16(2,3)15-12-11-13-9-7-8-10-14(13)18(15)17(4,5)6;1-15(2,3)13-14(19)17-11-9-7-8-10-12(11)18(13)16(4,5)6;1-15(2,3)14-11-12-9-7-8-10-13(12)17(14)16(4,5)6;1-12(2,3)11-9-7-8-10-14(11)13(4,5)6;1-11(2,3)9-10(15)13-7-8-14(9)12(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6/h2*7-10,15H,11-12H2,1-6H3;7-10,13H,1-6H3,(H,17,19);7-10,14H,11H2,1-6H3;11H,7-10H2,1-6H3;9H,7-8H2,1-6H3,(H,13,15);10H,7-9H2,1-6H3
InChIKeySUOKFLPCDDXKIM-UHFFFAOYSA-N
MW1575.63 g/mol
LogP25.62
Rot. Bonds

About 1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine

1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine (PubChem CID 160941516) has the molecular formula C103H179N9O2 and a molecular weight of 1575.63 g/mol. Its IUPAC name is 1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine.

Molecular Properties

Compound Name1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine
PubChem CID160941516
Molecular FormulaC103H179N9O2
Molecular Weight1575.63 g/mol
Exact Mass1574.42
IUPAC Name1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine
SMILESCC(C)(C)C1C(=O)NCCN1C(C)(C)C.CC(C)(C)C1C(=O)Nc2ccccc2N1C(C)(C)C.CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1CCc2ccccc2N1C(C)(C)C.CC(C)(C)C1Cc2ccccc2N1C(C)(C)C.CC(C)(C)C1c2ccccc2CCN1C(C)(C)C
InChIInChI=1S/2C17H27N.C16H24N2O.C16H25N.C13H27N.C12H24N2O.C12H25N/c1-16(2,3)15-14-10-8-7-9-13(14)11-12-18(15)17(4,5)6;1-16(2,3)15-12-11-13-9-7-8-10-14(13)18(15)17(4,5)6;1-15(2,3)13-14(19)17-11-9-7-8-10-12(11)18(13)16(4,5)6;1-15(2,3)14-11-12-9-7-8-10-13(12)17(14)16(4,5)6;1-12(2,3)11-9-7-8-10-14(11)13(4,5)6;1-11(2,3)9-10(15)13-7-8-14(9)12(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6/h2*7-10,15H,11-12H2,1-6H3;7-10,13H,1-6H3,(H,17,19);7-10,14H,11H2,1-6H3;11H,7-10H2,1-6H3;9H,7-8H2,1-6H3,(H,13,15);10H,7-9H2,1-6H3
InChIKeySUOKFLPCDDXKIM-UHFFFAOYSA-N
XLogP25.62
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001575.63
LogP ≤ 525.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine?
The IUPAC name of 1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine (CID 160941516) is 1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine.
What is the SMILES notation for 1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine?
The canonical SMILES for 1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine is CC(C)(C)C1C(=O)NCCN1C(C)(C)C.CC(C)(C)C1C(=O)Nc2ccccc2N1C(C)(C)C.CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1CCc2ccccc2N1C(C)(C)C.CC(C)(C)C1Cc2ccccc2N1C(C)(C)C.CC(C)(C)C1c2ccccc2CCN1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine?
The InChIKey is SUOKFLPCDDXKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H27N.C16H24N2O.C16H25N.C13H27N.C12H24N2O.C12H25N/c1-16(2,3)15-14-10-8-7-9-13(14)11-12-18(15)17(4,5)6;1-16(2,3)15-12-11-13-9-7-8-10-14(13)18(15)17(4,5)6;1-15(2,3)13-14(19)17-11-9-7-8-10-12(11)18(13)16(4,5)6;1-15(2,3)14-11-12-9-7-8-10-13(12)17(14)16(4,5)6;1-12(2,3)11-9-7-8-10-14(11)13(4,5)6;1-11(2,3)9-10(15)13-7-8-14(9)12(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6/h2*7-10,15H,11-12H2,1-6H3;7-10,13H,1-6H3,(H,17,19);7-10,14H,11H2,1-6H3;11H,7-10H2,1-6H3;9H,7-8H2,1-6H3,(H,13,15);10H,7-9H2,1-6H3.
What are the key properties of 1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine?
1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine has a molecular weight of 1575.63 g/mol, XLogP of 25.62, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-1H-isoquinoline;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;3,4-ditert-butyl-1,3-dihydroquinoxalin-2-one;3,4-ditert-butylpiperazin-2-one;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine is sourced from PubChem (CID 160941516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).