3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride

C92H135Cl3N8O10 — CID 161058209

About 3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride

3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride (PubChem CID 161058209) has the molecular formula C92H135Cl3N8O10 and a molecular weight of 1621.51 g/mol. Its IUPAC name is 3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride.

Molecular Properties

• Compound Name: 3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride
• PubChem CID: 161058209
• Molecular Formula: C92H135Cl3N8O10
• Molecular Weight: 1621.51 g/mol
• Exact Mass: 1618.94
• IUPAC Name: 3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride
• SMILES: C.C.C.C.C.C.C.CC(=O)CC(C)=O.Cc1cc(C)c2c(n1)CCCC2=O.Cc1cc(C)c2c(n1)CCCC2C.Cc1cc(C)c2c(n1)CCCC2C.Cc1cc(C)c2c(n1)CCCC2O.Cc1cc(Cl)c2c(n1)CCCC2=O.NC1=CC(=O)CCC1.O=C1CCCc2[nH]c(=O)cc(O)c21.O=C1CCCc2nc(Cl)cc(Cl)c21.[H][3H]
• InChI: InChI=1S/2C12H17N.C11H15NO.C11H13NO.C10H10ClNO.C9H7Cl2NO.C9H9NO3.C6H9NO.C5H8O2.7CH4.H2/c2*1-8-5-4-6-11-12(8)9(2)7-10(3)13-11;2*1-7-6-8(2)12-9-4-3-5-10(13)11(7)9;1-6-5-7(11)10-8(12-6)3-2-4-9(10)13;10-5-4-8(11)12-6-2-1-3-7(13)9(5)6;11-6-3-1-2-5-9(6)7(12)4-8(13)10-5;7-5-2-1-3-6(8)4-5;1-4(6)3-5(2)7;;;;;;;;/h2*7-8H,4-6H2,1-3H3;6,10,13H,3-5H2,1-2H3;6H,3-5H2,1-2H3;5H,2-4H2,1H3;4H,1-3H2;4H,1-3H2,(H2,10,12,13);4H,1-3,7H2;3H2,1-2H3;7*1H4;1H/i;;;;;;;;;;;;;;;;1+2
• InChIKey: UDAQUKRGGQDEGV-MOXCQEOOSA-N
• XLogP: 22.47
• TPSA: 296.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 2
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1621.51
LogP ≤ 5	22.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride?

The IUPAC name of 3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride (CID 161058209) is 3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride.

What is the SMILES notation for 3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride?

The canonical SMILES for 3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride is C.C.C.C.C.C.C.CC(=O)CC(C)=O.Cc1cc(C)c2c(n1)CCCC2=O.Cc1cc(C)c2c(n1)CCCC2C.Cc1cc(C)c2c(n1)CCCC2C.Cc1cc(C)c2c(n1)CCCC2O.Cc1cc(Cl)c2c(n1)CCCC2=O.NC1=CC(=O)CCC1.O=C1CCCc2[nH]c(=O)cc(O)c21.O=C1CCCc2nc(Cl)cc(Cl)c21.[H][3H].

What is the InChIKey of 3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride?

The InChIKey is UDAQUKRGGQDEGV-MOXCQEOOSA-N. The full InChI is InChI=1S/2C12H17N.C11H15NO.C11H13NO.C10H10ClNO.C9H7Cl2NO.C9H9NO3.C6H9NO.C5H8O2.7CH4.H2/c2*1-8-5-4-6-11-12(8)9(2)7-10(3)13-11;2*1-7-6-8(2)12-9-4-3-5-10(13)11(7)9;1-6-5-7(11)10-8(12-6)3-2-4-9(10)13;10-5-4-8(11)12-6-2-1-3-7(13)9(5)6;11-6-3-1-2-5-9(6)7(12)4-8(13)10-5;7-5-2-1-3-6(8)4-5;1-4(6)3-5(2)7;;;;;;;;/h2*7-8H,4-6H2,1-3H3;6,10,13H,3-5H2,1-2H3;6H,3-5H2,1-2H3;5H,2-4H2,1H3;4H,1-3H2;4H,1-3H2,(H2,10,12,13);4H,1-3,7H2;3H2,1-2H3;7*1H4;1H/i;;;;;;;;;;;;;;;;1+2.

What are the key properties of 3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride?

3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride has a molecular weight of 1621.51 g/mol, XLogP of 22.47, 2 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride is sourced from PubChem (CID 161058209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).