9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide

C18H13NO3 — CID 122602735

IUPAC9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide
SMILESC=CCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H13NO3/c1-2-9-19-18(22)11-7-8-14-15(10-11)17(21)13-6-4-3-5-12(13)16(14)20/h2-8,10H,1,9H2,(H,19,22)
InChIKeyVGSDEKJPTKXXRP-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.38
Rot. Bonds3

About 9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide

9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide (PubChem CID 122602735) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide.

Molecular Properties

Compound Name9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide
PubChem CID122602735
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide
SMILESC=CCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H13NO3/c1-2-9-19-18(22)11-7-8-14-15(10-11)17(21)13-6-4-3-5-12(13)16(14)20/h2-8,10H,1,9H2,(H,19,22)
InChIKeyVGSDEKJPTKXXRP-UHFFFAOYSA-N
XLogP2.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-9,10-dioxoanthracene-2-carboxamide
CID 102014872
2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid
CID 10380616
2-methyl-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
CID 46679809
3-[(9,10-dioxoanthracene-2-carbonyl)amino]propanoic acid
CID 72725647
prop-2-enyl 9,10-dioxoanthracene-2-carboxylate
CID 59816781
4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 2254820
3-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 19177512
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
4-[(9,10-dioxoanthracene-2-carbonyl)amino]benzoic acid
CID 155606415
N-[9-(4-aminobutylamino)nonyl]-9,10-dioxoanthracene-2-carboxamide
CID 148523711

Frequently Asked Questions

What is the IUPAC name of 9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide?
The IUPAC name of 9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide (CID 122602735) is 9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide.
What is the SMILES notation for 9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide?
The canonical SMILES for 9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide is C=CCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide?
The InChIKey is VGSDEKJPTKXXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-2-9-19-18(22)11-7-8-14-15(10-11)17(21)13-6-4-3-5-12(13)16(14)20/h2-8,10H,1,9H2,(H,19,22).
What are the key properties of 9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide?
9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide is sourced from PubChem (CID 122602735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).