methyl 1-(furan-2-carbonyl)indole-3-carboxylate

C15H11NO4 — CID 703721

IUPACmethyl 1-(furan-2-carbonyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2ccco2)c2ccccc12
InChIInChI=1S/C15H11NO4/c1-19-15(18)11-9-16(12-6-3-2-5-10(11)12)14(17)13-7-4-8-20-13/h2-9H,1H3
InChIKeyVKRNCNLYDGJIRZ-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.71
Rot. Bonds2

About methyl 1-(furan-2-carbonyl)indole-3-carboxylate

methyl 1-(furan-2-carbonyl)indole-3-carboxylate (PubChem CID 703721) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 1-(furan-2-carbonyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(furan-2-carbonyl)indole-3-carboxylate
PubChem CID703721
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Namemethyl 1-(furan-2-carbonyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2ccco2)c2ccccc12
InChIInChI=1S/C15H11NO4/c1-19-15(18)11-9-16(12-6-3-2-5-10(11)12)14(17)13-7-4-8-20-13/h2-9H,1H3
InChIKeyVKRNCNLYDGJIRZ-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(furan-2-carbonyl)indole-3-carboxylate
CID 171982276
methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate
CID 43917217
methyl 1-(4-iodobenzoyl)indole-3-carboxylate
CID 1154177
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
methyl 1-(2-methylsulfanylbenzoyl)indole-3-carboxylate
CID 8795582
methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
CID 925279
methyl 1-(3,4-dimethoxybenzoyl)indole-3-carboxylate
CID 703705
methyl 1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243075
methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate
CID 7376054
methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate
CID 8779097
methyl 1-[(E)-1-bromo-2-iodo-2-phenylethenyl]indole-3-carboxylate
CID 102359655
methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555

Frequently Asked Questions

What is the IUPAC name of methyl 1-(furan-2-carbonyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(furan-2-carbonyl)indole-3-carboxylate (CID 703721) is methyl 1-(furan-2-carbonyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(furan-2-carbonyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(furan-2-carbonyl)indole-3-carboxylate is COC(=O)c1cn(C(=O)c2ccco2)c2ccccc12.
What is the InChIKey of methyl 1-(furan-2-carbonyl)indole-3-carboxylate?
The InChIKey is VKRNCNLYDGJIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-15(18)11-9-16(12-6-3-2-5-10(11)12)14(17)13-7-4-8-20-13/h2-9H,1H3.
What are the key properties of methyl 1-(furan-2-carbonyl)indole-3-carboxylate?
methyl 1-(furan-2-carbonyl)indole-3-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(furan-2-carbonyl)indole-3-carboxylate is sourced from PubChem (CID 703721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).