1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one

C12H19NO — CID 123983578

IUPAC1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one
SMILESCC1=C(C)C(=O)N(C)C(C)=C(C)CC1
InChIInChI=1S/C12H19NO/c1-8-6-7-9(2)11(4)13(5)12(14)10(8)3/h6-7H2,1-5H3
InChIKeyMLYLPUSRMXLQQN-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.87
Rot. Bonds

About 1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one

1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one (PubChem CID 123983578) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one.

Molecular Properties

Compound Name1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one
PubChem CID123983578
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one
SMILESCC1=C(C)C(=O)N(C)C(C)=C(C)CC1
InChIInChI=1S/C12H19NO/c1-8-6-7-9(2)11(4)13(5)12(14)10(8)3/h6-7H2,1-5H3
InChIKeyMLYLPUSRMXLQQN-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one
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1,3,4,6-Tetramethyl-5-propan-2-ylpyridin-2-one
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2,3,4,6,7-pentamethyl-5H-cyclopenta[c]pyridin-1-one
CID 68198341
(E)-N,N-diethyl-2,3-dimethylhept-2-enamide
CID 137429133
Methane;1,3,4,5,6-pentamethylpyridin-2-one
CID 161571049
4,5-Diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one
CID 166080859
(Z)-N-[(E)-hex-2-en-2-yl]-N,2,3-trimethylpent-2-enamide
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(E)-N,N-diethyl-2,3-dimethyloct-2-enamide
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1,3,4,6,7-Pentamethylazepine-2,5-dione
CID 121219922

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one?
The IUPAC name of 1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one (CID 123983578) is 1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one.
What is the SMILES notation for 1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one?
The canonical SMILES for 1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one is CC1=C(C)C(=O)N(C)C(C)=C(C)CC1.
What is the InChIKey of 1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one?
The InChIKey is MLYLPUSRMXLQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-6-7-9(2)11(4)13(5)12(14)10(8)3/h6-7H2,1-5H3.
What are the key properties of 1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one?
1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one has a molecular weight of 193.29 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,7-pentamethyl-4,5-dihydroazocin-8-one is sourced from PubChem (CID 123983578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).