10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

C14H17NO2 — CID 12527459

IUPAC10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCN1C2=C(CC3=C1CCCC3=O)C(=O)CCC2
InChIInChI=1S/C14H17NO2/c1-15-11-4-2-6-13(16)9(11)8-10-12(15)5-3-7-14(10)17/h2-8H2,1H3
InChIKeyTXEBHUFAAAPKOP-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.34
Rot. Bonds

About 10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 12527459) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID12527459
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCN1C2=C(CC3=C1CCCC3=O)C(=O)CCC2
InChIInChI=1S/C14H17NO2/c1-15-11-4-2-6-13(16)9(11)8-10-12(15)5-3-7-14(10)17/h2-8H2,1H3
InChIKeyTXEBHUFAAAPKOP-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 12527459) is 10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is CN1C2=C(CC3=C1CCCC3=O)C(=O)CCC2.
What is the InChIKey of 10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is TXEBHUFAAAPKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-15-11-4-2-6-13(16)9(11)8-10-12(15)5-3-7-14(10)17/h2-8H2,1H3.
What are the key properties of 10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 231.29 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 12527459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).