anthracene-9,10-dione;prop-2-enamide

C17H13NO3 — CID 67819663

IUPACanthracene-9,10-dione;prop-2-enamide
SMILESC=CC(N)=O.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.C3H5NO/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-2-3(4)5/h1-8H;2H,1H2,(H2,4,5)
InChIKeyBVWLMGKVQBIFBK-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.12
Rot. Bonds1

About anthracene-9,10-dione;prop-2-enamide

anthracene-9,10-dione;prop-2-enamide (PubChem CID 67819663) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is anthracene-9,10-dione;prop-2-enamide.

Molecular Properties

Compound Nameanthracene-9,10-dione;prop-2-enamide
PubChem CID67819663
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Nameanthracene-9,10-dione;prop-2-enamide
SMILESC=CC(N)=O.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.C3H5NO/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-2-3(4)5/h1-8H;2H,1H2,(H2,4,5)
InChIKeyBVWLMGKVQBIFBK-UHFFFAOYSA-N
XLogP2.12
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze anthracene-9,10-dione;prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

anthracene-9,10-dione;carbamic acid
CID 70556478
anthracene-9,10-dione;ethyl prop-2-enoate
CID 70637632
phthalic acid;prop-2-enamide
CID 89485931
CID 158261979
CID 158261979
benzene;prop-2-enamide;hydrobromide
CID 174943070
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;carbonochloridic acid
CID 88712965
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925

Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dione;prop-2-enamide?
The IUPAC name of anthracene-9,10-dione;prop-2-enamide (CID 67819663) is anthracene-9,10-dione;prop-2-enamide.
What is the SMILES notation for anthracene-9,10-dione;prop-2-enamide?
The canonical SMILES for anthracene-9,10-dione;prop-2-enamide is C=CC(N)=O.O=C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of anthracene-9,10-dione;prop-2-enamide?
The InChIKey is BVWLMGKVQBIFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.C3H5NO/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-2-3(4)5/h1-8H;2H,1H2,(H2,4,5).
What are the key properties of anthracene-9,10-dione;prop-2-enamide?
anthracene-9,10-dione;prop-2-enamide has a molecular weight of 279.30 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione;prop-2-enamide is sourced from PubChem (CID 67819663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).