10b,10c-dimethylpyrene-2,7-dione

C18H14O2 — CID 11043565

IUPAC10b,10c-dimethylpyrene-2,7-dione
SMILESCC12C3=CC(=O)C=C1C=CC1=CC(=O)C=C(C=C3)C12C
InChIInChI=1S/C18H14O2/c1-17-11-3-5-13-9-16(20)10-14(18(13,17)2)6-4-12(17)8-15(19)7-11/h3-10H,1-2H3
InChIKeyAYUHBPFBDGEYRI-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.01
Rot. Bonds

About 10b,10c-dimethylpyrene-2,7-dione

10b,10c-dimethylpyrene-2,7-dione (PubChem CID 11043565) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 10b,10c-dimethylpyrene-2,7-dione.

Molecular Properties

Compound Name10b,10c-dimethylpyrene-2,7-dione
PubChem CID11043565
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name10b,10c-dimethylpyrene-2,7-dione
SMILESCC12C3=CC(=O)C=C1C=CC1=CC(=O)C=C(C=C3)C12C
InChIInChI=1S/C18H14O2/c1-17-11-3-5-13-9-16(20)10-14(18(13,17)2)6-4-12(17)8-15(19)7-11/h3-10H,1-2H3
InChIKeyAYUHBPFBDGEYRI-UHFFFAOYSA-N
XLogP3.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10b,10c-dimethylpyrene-2,7-dione?
The IUPAC name of 10b,10c-dimethylpyrene-2,7-dione (CID 11043565) is 10b,10c-dimethylpyrene-2,7-dione.
What is the SMILES notation for 10b,10c-dimethylpyrene-2,7-dione?
The canonical SMILES for 10b,10c-dimethylpyrene-2,7-dione is CC12C3=CC(=O)C=C1C=CC1=CC(=O)C=C(C=C3)C12C.
What is the InChIKey of 10b,10c-dimethylpyrene-2,7-dione?
The InChIKey is AYUHBPFBDGEYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-17-11-3-5-13-9-16(20)10-14(18(13,17)2)6-4-12(17)8-15(19)7-11/h3-10H,1-2H3.
What are the key properties of 10b,10c-dimethylpyrene-2,7-dione?
10b,10c-dimethylpyrene-2,7-dione has a molecular weight of 262.31 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10b,10c-dimethylpyrene-2,7-dione is sourced from PubChem (CID 11043565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).