(8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one

C19H35NO — CID 155188662

IUPAC(8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one
SMILESCCC(C)C1C/C=C\NC(=O)C(C(C)C)C(C(C)CC)C1
InChIInChI=1S/C19H35NO/c1-7-14(5)16-10-9-11-20-19(21)18(13(3)4)17(12-16)15(6)8-2/h9,11,13-18H,7-8,10,12H2,1-6H3,(H,20,21)/b11-9-
InChIKeyUTOJEUYKZJFMCI-LUAWRHEFSA-N
MW293.49 g/mol
LogP5.01
Rot. Bonds5

About (8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one

(8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one (PubChem CID 155188662) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is (8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one.

Molecular Properties

Compound Name(8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one
PubChem CID155188662
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC Name(8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one
SMILESCCC(C)C1C/C=C\NC(=O)C(C(C)C)C(C(C)CC)C1
InChIInChI=1S/C19H35NO/c1-7-14(5)16-10-9-11-20-19(21)18(13(3)4)17(12-16)15(6)8-2/h9,11,13-18H,7-8,10,12H2,1-6H3,(H,20,21)/b11-9-
InChIKeyUTOJEUYKZJFMCI-LUAWRHEFSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one?
The IUPAC name of (8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one (CID 155188662) is (8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one.
What is the SMILES notation for (8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one?
The canonical SMILES for (8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one is CCC(C)C1C/C=C\NC(=O)C(C(C)C)C(C(C)CC)C1.
What is the InChIKey of (8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one?
The InChIKey is UTOJEUYKZJFMCI-LUAWRHEFSA-N. The full InChI is InChI=1S/C19H35NO/c1-7-14(5)16-10-9-11-20-19(21)18(13(3)4)17(12-16)15(6)8-2/h9,11,13-18H,7-8,10,12H2,1-6H3,(H,20,21)/b11-9-.
What are the key properties of (8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one?
(8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one has a molecular weight of 293.49 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-4,6-di(butan-2-yl)-3-propan-2-yl-1,3,4,5,6,7-hexahydroazonin-2-one is sourced from PubChem (CID 155188662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).