methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate

C17H15NO2 — CID 46183128

IUPACmethyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate
SMILESCOC(=O)c1[nH]c2cc3c4c(cccc4c2c1C)CC3
InChIInChI=1S/C17H15NO2/c1-9-14-12-5-3-4-10-6-7-11(15(10)12)8-13(14)18-16(9)17(19)20-2/h3-5,8,18H,6-7H2,1-2H3
InChIKeyCIFVJHUPTWMXKF-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.51
Rot. Bonds1

About methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate

methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate (PubChem CID 46183128) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate
PubChem CID46183128
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Namemethyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate
SMILESCOC(=O)c1[nH]c2cc3c4c(cccc4c2c1C)CC3
InChIInChI=1S/C17H15NO2/c1-9-14-12-5-3-4-10-6-7-11(15(10)12)8-13(14)18-16(9)17(19)20-2/h3-5,8,18H,6-7H2,1-2H3
InChIKeyCIFVJHUPTWMXKF-UHFFFAOYSA-N
XLogP3.51
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate with MolForge

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Related Compounds

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methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate
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methyl 4-bromo-5-iodo-3-methyl-1H-indole-2-carboxylate
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1-(1-methyl-5,6-dihydro-4H-phenalen-2-yl)ethanone
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methyl 3-phenanthren-9-yl-1H-indole-2-carboxylate
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methyl 4-amino-1H-indole-2-carboxylate
CID 19955413
dimethyl 3-methyl-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaene-5,5-dicarboxylate
CID 122381044
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CID 170501790
methyl 3-(4-methoxy-4-oxobutyl)-1H-indole-2-carboxylate
CID 68579658

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate?
The IUPAC name of methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate (CID 46183128) is methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate?
The canonical SMILES for methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate is COC(=O)c1[nH]c2cc3c4c(cccc4c2c1C)CC3.
What is the InChIKey of methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate?
The InChIKey is CIFVJHUPTWMXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-9-14-12-5-3-4-10-6-7-11(15(10)12)8-13(14)18-16(9)17(19)20-2/h3-5,8,18H,6-7H2,1-2H3.
What are the key properties of methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate?
methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate is sourced from PubChem (CID 46183128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).