(5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate

C19H13NO4 — CID 10615565

IUPAC(5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate
SMILESCC(=O)Oc1ccc2c(c1)c1c(n2C)C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H13NO4/c1-10(21)24-11-7-8-15-14(9-11)16-17(20(15)2)19(23)13-6-4-3-5-12(13)18(16)22/h3-9H,1-2H3
InChIKeyLZNZDBDMSAJXRH-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.88
Rot. Bonds1

About (5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate

(5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate (PubChem CID 10615565) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is (5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate.

Molecular Properties

Compound Name(5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate
PubChem CID10615565
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name(5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate
SMILESCC(=O)Oc1ccc2c(c1)c1c(n2C)C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H13NO4/c1-10(21)24-11-7-8-15-14(9-11)16-17(20(15)2)19(23)13-6-4-3-5-12(13)18(16)22/h3-9H,1-2H3
InChIKeyLZNZDBDMSAJXRH-UHFFFAOYSA-N
XLogP2.88
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione
CID 71416409
(4-acetyloxy-9,10-dioxoanthracen-2-yl) acetate
CID 3754690
(3-carbonochloridoyl-1,2-dimethylindol-5-yl) acetate
CID 86672895
(5,7,12-trihydroxy-6,11-dioxotetracen-2-yl) acetate
CID 21325759
(5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate
CID 57062472
triphenylen-2-yl acetate;hydrochloride
CID 142787711
[4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate
CID 144925706
(10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate
CID 15294322
8-methoxy-5-methylindeno[2,1-b]quinoline-6,11-dione
CID 122194430
[7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate
CID 71415857
2-(1,4-diacetyloxy-9,10-dioxoanthracen-2-yl)acetic acid
CID 10385215
3-benzoyl-1,2-dimethylbenzo[f]indole-4,9-dione
CID 10711417

Frequently Asked Questions

What is the IUPAC name of (5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate?
The IUPAC name of (5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate (CID 10615565) is (5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate.
What is the SMILES notation for (5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate?
The canonical SMILES for (5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate is CC(=O)Oc1ccc2c(c1)c1c(n2C)C(=O)c2ccccc2C1=O.
What is the InChIKey of (5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate?
The InChIKey is LZNZDBDMSAJXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c1-10(21)24-11-7-8-15-14(9-11)16-17(20(15)2)19(23)13-6-4-3-5-12(13)18(16)22/h3-9H,1-2H3.
What are the key properties of (5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate?
(5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate has a molecular weight of 319.32 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate is sourced from PubChem (CID 10615565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).