3-amino-6-methylphenanthrene-9,10-dione;ethane

C17H17NO2 — CID 142278417

IUPAC3-amino-6-methylphenanthrene-9,10-dione;ethane
SMILESCC.Cc1ccc2c(c1)-c1cc(N)ccc1C(=O)C2=O
InChIInChI=1S/C15H11NO2.C2H6/c1-8-2-4-10-12(6-8)13-7-9(16)3-5-11(13)15(18)14(10)17;1-2/h2-7H,16H2,1H3;1-2H3
InChIKeyWOFGASWBJMARMA-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.65
Rot. Bonds

About 3-amino-6-methylphenanthrene-9,10-dione;ethane

3-amino-6-methylphenanthrene-9,10-dione;ethane (PubChem CID 142278417) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-amino-6-methylphenanthrene-9,10-dione;ethane.

Molecular Properties

Compound Name3-amino-6-methylphenanthrene-9,10-dione;ethane
PubChem CID142278417
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-amino-6-methylphenanthrene-9,10-dione;ethane
SMILESCC.Cc1ccc2c(c1)-c1cc(N)ccc1C(=O)C2=O
InChIInChI=1S/C15H11NO2.C2H6/c1-8-2-4-10-12(6-8)13-7-9(16)3-5-11(13)15(18)14(10)17;1-2/h2-7H,16H2,1H3;1-2H3
InChIKeyWOFGASWBJMARMA-UHFFFAOYSA-N
XLogP3.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methylphenanthrene-9,10-dione;ethane?
The IUPAC name of 3-amino-6-methylphenanthrene-9,10-dione;ethane (CID 142278417) is 3-amino-6-methylphenanthrene-9,10-dione;ethane.
What is the SMILES notation for 3-amino-6-methylphenanthrene-9,10-dione;ethane?
The canonical SMILES for 3-amino-6-methylphenanthrene-9,10-dione;ethane is CC.Cc1ccc2c(c1)-c1cc(N)ccc1C(=O)C2=O.
What is the InChIKey of 3-amino-6-methylphenanthrene-9,10-dione;ethane?
The InChIKey is WOFGASWBJMARMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2.C2H6/c1-8-2-4-10-12(6-8)13-7-9(16)3-5-11(13)15(18)14(10)17;1-2/h2-7H,16H2,1H3;1-2H3.
What are the key properties of 3-amino-6-methylphenanthrene-9,10-dione;ethane?
3-amino-6-methylphenanthrene-9,10-dione;ethane has a molecular weight of 267.33 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methylphenanthrene-9,10-dione;ethane is sourced from PubChem (CID 142278417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).