methyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate

C12H9NO2 — CID 143564475

IUPACmethyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate
SMILESCOC(=O)C1=C=c2cc[nH]c2=C=C/C=C\1
InChIInChI=1S/C12H9NO2/c1-15-12(14)10-4-2-3-5-11-9(8-10)6-7-13-11/h2-4,6-7,13H,1H3/b4-2-
InChIKeyFZDUBUMJDZQLPJ-RQOWECAXSA-N
MW199.21 g/mol
LogP-0.00
Rot. Bonds1

About methyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate

methyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate (PubChem CID 143564475) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate
PubChem CID143564475
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Namemethyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate
SMILESCOC(=O)C1=C=c2cc[nH]c2=C=C/C=C\1
InChIInChI=1S/C12H9NO2/c1-15-12(14)10-4-2-3-5-11-9(8-10)6-7-13-11/h2-4,6-7,13H,1H3/b4-2-
InChIKeyFZDUBUMJDZQLPJ-RQOWECAXSA-N
XLogP-0.00
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate?
The IUPAC name of methyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate (CID 143564475) is methyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate?
The canonical SMILES for methyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate is COC(=O)C1=C=c2cc[nH]c2=C=C/C=C\1.
What is the InChIKey of methyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate?
The InChIKey is FZDUBUMJDZQLPJ-RQOWECAXSA-N. The full InChI is InChI=1S/C12H9NO2/c1-15-12(14)10-4-2-3-5-11-9(8-10)6-7-13-11/h2-4,6-7,13H,1H3/b4-2-.
What are the key properties of methyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate?
methyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate has a molecular weight of 199.21 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6Z)-1H-cycloocta[b]pyrrole-5-carboxylate is sourced from PubChem (CID 143564475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).