methyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate

C14H13NO3 — CID 11368514

IUPACmethyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c3c(c12)C(=O)CCC3
InChIInChI=1S/C14H13NO3/c1-18-14(17)8-4-2-5-9-12(8)13-10(15-9)6-3-7-11(13)16/h2,4-5,15H,3,6-7H2,1H3
InChIKeyYAQSQUUCVARXHF-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.47
Rot. Bonds1

About methyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate

methyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate (PubChem CID 11368514) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate
PubChem CID11368514
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c3c(c12)C(=O)CCC3
InChIInChI=1S/C14H13NO3/c1-18-14(17)8-4-2-5-9-12(8)13-10(15-9)6-3-7-11(13)16/h2,4-5,15H,3,6-7H2,1H3
InChIKeyYAQSQUUCVARXHF-UHFFFAOYSA-N
XLogP2.47
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate?
The IUPAC name of methyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate (CID 11368514) is methyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate.
What is the SMILES notation for methyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate?
The canonical SMILES for methyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate is COC(=O)c1cccc2[nH]c3c(c12)C(=O)CCC3.
What is the InChIKey of methyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate?
The InChIKey is YAQSQUUCVARXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-14(17)8-4-2-5-9-12(8)13-10(15-9)6-3-7-11(13)16/h2,4-5,15H,3,6-7H2,1H3.
What are the key properties of methyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate?
methyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-6,7,8,9-tetrahydrocarbazole-4-carboxylate is sourced from PubChem (CID 11368514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).