5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide

C17H24N2O2 — CID 67023802

IUPAC5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide
SMILESCC1CCCCc2c(C(N)=O)ccc(C(N)=O)c2C1(C)C
InChIInChI=1S/C17H24N2O2/c1-10-6-4-5-7-11-12(15(18)20)8-9-13(16(19)21)14(11)17(10,2)3/h8-10H,4-7H2,1-3H3,(H2,18,20)(H2,19,21)
InChIKeyYCQYNZKBRGZVPK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.52
Rot. Bonds2

About 5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide

5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide (PubChem CID 67023802) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide.

Molecular Properties

Compound Name5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide
PubChem CID67023802
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide
SMILESCC1CCCCc2c(C(N)=O)ccc(C(N)=O)c2C1(C)C
InChIInChI=1S/C17H24N2O2/c1-10-6-4-5-7-11-12(15(18)20)8-9-13(16(19)21)14(11)17(10,2)3/h8-10H,4-7H2,1-3H3,(H2,18,20)(H2,19,21)
InChIKeyYCQYNZKBRGZVPK-UHFFFAOYSA-N
XLogP2.52
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide?
The IUPAC name of 5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide (CID 67023802) is 5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide.
What is the SMILES notation for 5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide?
The canonical SMILES for 5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide is CC1CCCCc2c(C(N)=O)ccc(C(N)=O)c2C1(C)C.
What is the InChIKey of 5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide?
The InChIKey is YCQYNZKBRGZVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-10-6-4-5-7-11-12(15(18)20)8-9-13(16(19)21)14(11)17(10,2)3/h8-10H,4-7H2,1-3H3,(H2,18,20)(H2,19,21).
What are the key properties of 5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide?
5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6-trimethyl-7,8,9,10-tetrahydro-6H-benzo[8]annulene-1,4-dicarboxamide is sourced from PubChem (CID 67023802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).