3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide

C15H12N2O2 — CID 70377327

IUPAC3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide
SMILESCc1c(C(N)=O)cc2c(C(N)=O)c1c1cccc2c1
InChIInChI=1S/C15H12N2O2/c1-7-10(14(16)18)6-11-8-3-2-4-9(5-8)12(7)13(11)15(17)19/h2-6H,1H3,(H2,16,18)(H2,17,19)
InChIKeyHAGCOOWQQFEZKU-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.94
Rot. Bonds2

About 3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide

3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide (PubChem CID 70377327) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide.

Molecular Properties

Compound Name3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide
PubChem CID70377327
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide
SMILESCc1c(C(N)=O)cc2c(C(N)=O)c1c1cccc2c1
InChIInChI=1S/C15H12N2O2/c1-7-10(14(16)18)6-11-8-3-2-4-9(5-8)12(7)13(11)15(17)19/h2-6H,1H3,(H2,16,18)(H2,17,19)
InChIKeyHAGCOOWQQFEZKU-UHFFFAOYSA-N
XLogP1.94
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-amino-3-methylnaphthalene-2-carboxamide
CID 21300607
CID 175042046
CID 175042046
5-chloro-3-methylnaphthalene-2-carboxamide
CID 20773242
9-methylanthracen-1-amine
CID 23131270
2,3,8-trihydroxynaphthalene-1-carboxamide
CID 121226651
2-aminonaphthalene-1,8-dicarboxamide
CID 70248855
5-methylnaphthalene-2-carboxamide
CID 89351493
CID 70080980
CID 70080980
anthracene-1,9-dicarboxylic acid
CID 13155838
10-aminoanthracene-1-carboxamide
CID 23131366
1-(1-hydroxyanthracen-9-yl)ethanone
CID 21140475
3-hydroxy-2,5-dimethylbenzamide
CID 119002669

Frequently Asked Questions

What is the IUPAC name of 3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide?
The IUPAC name of 3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide (CID 70377327) is 3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide.
What is the SMILES notation for 3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide?
The canonical SMILES for 3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide is Cc1c(C(N)=O)cc2c(C(N)=O)c1c1cccc2c1.
What is the InChIKey of 3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide?
The InChIKey is HAGCOOWQQFEZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-7-10(14(16)18)6-11-8-3-2-4-9(5-8)12(7)13(11)15(17)19/h2-6H,1H3,(H2,16,18)(H2,17,19).
What are the key properties of 3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide?
3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltricyclo[5.3.1.12,6]dodeca-1(10),2(12),3,5,7(11),8-hexaene-4,12-dicarboxamide is sourced from PubChem (CID 70377327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).