methyl N-(9,10-dioxoanthracen-1-yl)carbamate

C16H11NO4 — CID 4161864

IUPACmethyl N-(9,10-dioxoanthracen-1-yl)carbamate
SMILESCOC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H11NO4/c1-21-16(20)17-12-8-4-7-11-13(12)15(19)10-6-3-2-5-9(10)14(11)18/h2-8H,1H3,(H,17,20)
InChIKeyGTCKJXWUHLBZSE-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.64
Rot. Bonds1

About methyl N-(9,10-dioxoanthracen-1-yl)carbamate

methyl N-(9,10-dioxoanthracen-1-yl)carbamate (PubChem CID 4161864) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is methyl N-(9,10-dioxoanthracen-1-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(9,10-dioxoanthracen-1-yl)carbamate
PubChem CID4161864
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Namemethyl N-(9,10-dioxoanthracen-1-yl)carbamate
SMILESCOC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H11NO4/c1-21-16(20)17-12-8-4-7-11-13(12)15(19)10-6-3-2-5-9(10)14(11)18/h2-8H,1H3,(H,17,20)
InChIKeyGTCKJXWUHLBZSE-UHFFFAOYSA-N
XLogP2.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(9,10-dioxoanthracen-1-yl)carbamoyl]benzoate
CID 4138390
(9,10-dioxoanthracen-1-yl)thiourea
CID 82030669
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
methyl 2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]-3-methylbutanoate
CID 4839814
2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 24884684
N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide
CID 13439298
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide
CID 3318461
1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione
CID 176542149
N-(9,10-dioxoanthracen-1-yl)decanamide
CID 4282760
tert-butyl N-[2-acetamido-5-[(9,10-dioxoanthracen-1-yl)amino]phenyl]carbamate
CID 90935896
N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
CID 2839734

Frequently Asked Questions

What is the IUPAC name of methyl N-(9,10-dioxoanthracen-1-yl)carbamate?
The IUPAC name of methyl N-(9,10-dioxoanthracen-1-yl)carbamate (CID 4161864) is methyl N-(9,10-dioxoanthracen-1-yl)carbamate.
What is the SMILES notation for methyl N-(9,10-dioxoanthracen-1-yl)carbamate?
The canonical SMILES for methyl N-(9,10-dioxoanthracen-1-yl)carbamate is COC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of methyl N-(9,10-dioxoanthracen-1-yl)carbamate?
The InChIKey is GTCKJXWUHLBZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c1-21-16(20)17-12-8-4-7-11-13(12)15(19)10-6-3-2-5-9(10)14(11)18/h2-8H,1H3,(H,17,20).
What are the key properties of methyl N-(9,10-dioxoanthracen-1-yl)carbamate?
methyl N-(9,10-dioxoanthracen-1-yl)carbamate has a molecular weight of 281.27 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(9,10-dioxoanthracen-1-yl)carbamate is sourced from PubChem (CID 4161864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).