methyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate

C16H13NO4 — CID 653266

IUPACmethyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C16H13NO4/c1-20-15(18)10-17-9-12(11-5-2-3-6-13(11)17)16(19)14-7-4-8-21-14/h2-9H,10H2,1H3
InChIKeyRFVVFVUFPLPJCS-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.64
Rot. Bonds4

About methyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate

methyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate (PubChem CID 653266) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate
PubChem CID653266
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Namemethyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C16H13NO4/c1-20-15(18)10-17-9-12(11-5-2-3-6-13(11)17)16(19)14-7-4-8-21-14/h2-9H,10H2,1H3
InChIKeyRFVVFVUFPLPJCS-UHFFFAOYSA-N
XLogP2.64
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 11670893
CID 11670893
CID 958611
CID 958611
CID 589080
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CID 951675
CID 951675
CID 24829332
CID 24829332
CID 4127211
CID 4127211
CID 44410800
CID 44410800
CID 817595
CID 817595
CID 817597
CID 817597
CID 891308
CID 891308
CID 931244
CID 931244
CID 955159
CID 955159

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate?
The IUPAC name of methyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate (CID 653266) is methyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate is COC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21.
What is the InChIKey of methyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate?
The InChIKey is RFVVFVUFPLPJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-20-15(18)10-17-9-12(11-5-2-3-6-13(11)17)16(19)14-7-4-8-21-14/h2-9H,10H2,1H3.
What are the key properties of methyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate?
methyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate has a molecular weight of 283.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(furan-2-carbonyl)indol-1-yl]acetate is sourced from PubChem (CID 653266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).