2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline

C104H158N10O5 — CID 160730401

About 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline

2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline (PubChem CID 160730401) has the molecular formula C104H158N10O5 and a molecular weight of 1628.47 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
• PubChem CID: 160730401
• Molecular Formula: C104H158N10O5
• Molecular Weight: 1628.47 g/mol
• Exact Mass: 1627.24
• IUPAC Name: 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
• SMILES: C1=COc2ccccc2C1.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CN2.C1CC2COCC1N2.C1CN2CCC1CC2.C1CN2CCN1CC2.C1OC2CNC1C2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCOC2
• InChI: InChI=1S/2C9H11N.C9H10O.C9H8O.C9H10O.C8H14.3C7H13N.C7H12.C6H12N2.C6H11NO.C6H11N.C5H9NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-8-5-3-7(1)4-6-8;1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6;1-2-7-4-3-6(1)5-7;1-2-8-5-3-7(1)4-6-8;1-2-6-4-8-3-5(1)7-6;1-2-6-3-5(1)4-7-6;1-4-3-7-5(1)2-6-4/h1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-4,6-7H,5H2;1-4H,5-7H2;7-8H,1-6H2;7H,1-6H2;2*6-8H,1-5H2;6-7H,1-5H2;1-6H2;5-7H,1-4H2;5-7H,1-4H2;4-6H,1-3H2
• InChIKey: RUGJVRKREZKYLR-UHFFFAOYSA-N
• XLogP: 17.87
• TPSA: 140.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1628.47
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?

The IUPAC name of 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline (CID 160730401) is 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline is C1=COc2ccccc2C1.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CN2.C1CC2COCC1N2.C1CN2CCC1CC2.C1CN2CCN1CC2.C1OC2CNC1C2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCOC2.

What is the InChIKey of 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?

The InChIKey is RUGJVRKREZKYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.C9H10O.C9H8O.C9H10O.C8H14.3C7H13N.C7H12.C6H12N2.C6H11NO.C6H11N.C5H9NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-8-5-3-7(1)4-6-8;1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6;1-2-7-4-3-6(1)5-7;1-2-8-5-3-7(1)4-6-8;1-2-6-4-8-3-5(1)7-6;1-2-6-3-5(1)4-7-6;1-4-3-7-5(1)2-6-4/h1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-4,6-7H,5H2;1-4H,5-7H2;7-8H,1-6H2;7H,1-6H2;2*6-8H,1-5H2;6-7H,1-5H2;1-6H2;5-7H,1-4H2;5-7H,1-4H2;4-6H,1-3H2.

What are the key properties of 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?

2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline has a molecular weight of 1628.47 g/mol, XLogP of 17.87, 0 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 160730401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).