methyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate

C15H15NO4 — CID 21429224

IUPACmethyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate
SMILESCNC(=O)Oc1ccc(C(=O)OC)c2c1C1C=CC2C1
InChIInChI=1S/C15H15NO4/c1-16-15(18)20-11-6-5-10(14(17)19-2)12-8-3-4-9(7-8)13(11)12/h3-6,8-9H,7H2,1-2H3,(H,16,18)
InChIKeyJTKPXZCEWIQOFY-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.33
Rot. Bonds2

About methyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate

methyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate (PubChem CID 21429224) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate
PubChem CID21429224
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate
SMILESCNC(=O)Oc1ccc(C(=O)OC)c2c1C1C=CC2C1
InChIInChI=1S/C15H15NO4/c1-16-15(18)20-11-6-5-10(14(17)19-2)12-8-3-4-9(7-8)13(11)12/h3-6,8-9H,7H2,1-2H3,(H,16,18)
InChIKeyJTKPXZCEWIQOFY-UHFFFAOYSA-N
XLogP2.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate with MolForge

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Related Compounds

(6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate
CID 21429239
(6-acetyloxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) acetate;methane;tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol
CID 162192644
[2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate
CID 53245201
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
(2-bromo-3,4-dimethylphenyl) N-methylcarbamate
CID 154109694
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate
CID 120710099
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate
CID 146565565
(3,4-difluoro-2-iodophenyl) N-methylcarbamate
CID 91799162

Frequently Asked Questions

What is the IUPAC name of methyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate?
The IUPAC name of methyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate (CID 21429224) is methyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate.
What is the SMILES notation for methyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate?
The canonical SMILES for methyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate is CNC(=O)Oc1ccc(C(=O)OC)c2c1C1C=CC2C1.
What is the InChIKey of methyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate?
The InChIKey is JTKPXZCEWIQOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-16-15(18)20-11-6-5-10(14(17)19-2)12-8-3-4-9(7-8)13(11)12/h3-6,8-9H,7H2,1-2H3,(H,16,18).
What are the key properties of methyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate?
methyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methylcarbamoyloxy)tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3-carboxylate is sourced from PubChem (CID 21429224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).