9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one

C19H20INO — CID 102458864

IUPAC9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one
SMILESC=C(I)c1c2c(nc3c(C)cc(C)cc13)CC(C)(C)CC2=O
InChIInChI=1S/C19H20INO/c1-10-6-11(2)18-13(7-10)16(12(3)20)17-14(21-18)8-19(4,5)9-15(17)22/h6-7H,3,8-9H2,1-2,4-5H3
InChIKeyJDOAERVPHFPWDH-UHFFFAOYSA-N
MW405.28 g/mol
LogP5.41
Rot. Bonds1

About 9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one

9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one (PubChem CID 102458864) has the molecular formula C19H20INO and a molecular weight of 405.28 g/mol. Its IUPAC name is 9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one.

Molecular Properties

Compound Name9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one
PubChem CID102458864
Molecular FormulaC19H20INO
Molecular Weight405.28 g/mol
Exact Mass405.06
IUPAC Name9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one
SMILESC=C(I)c1c2c(nc3c(C)cc(C)cc13)CC(C)(C)CC2=O
InChIInChI=1S/C19H20INO/c1-10-6-11(2)18-13(7-10)16(12(3)20)17-14(21-18)8-19(4,5)9-15(17)22/h6-7H,3,8-9H2,1-2,4-5H3
InChIKeyJDOAERVPHFPWDH-UHFFFAOYSA-N
XLogP5.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.28
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one?
The IUPAC name of 9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one (CID 102458864) is 9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one.
What is the SMILES notation for 9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one?
The canonical SMILES for 9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one is C=C(I)c1c2c(nc3c(C)cc(C)cc13)CC(C)(C)CC2=O.
What is the InChIKey of 9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one?
The InChIKey is JDOAERVPHFPWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20INO/c1-10-6-11(2)18-13(7-10)16(12(3)20)17-14(21-18)8-19(4,5)9-15(17)22/h6-7H,3,8-9H2,1-2,4-5H3.
What are the key properties of 9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one?
9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one has a molecular weight of 405.28 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-iodoethenyl)-3,3,5,7-tetramethyl-2,4-dihydroacridin-1-one is sourced from PubChem (CID 102458864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).