(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate

C17H15NO5 — CID 7722921

IUPAC(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2cc3ccccc3[nH]2)oc1C
InChIInChI=1S/C17H15NO5/c1-10-13(16(19)21-2)8-12(23-10)9-22-17(20)15-7-11-5-3-4-6-14(11)18-15/h3-8,18H,9H2,1-2H3
InChIKeyWMVAJGURUHQQBS-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.21
Rot. Bonds4

About (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate (PubChem CID 7722921) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate
PubChem CID7722921
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2cc3ccccc3[nH]2)oc1C
InChIInChI=1S/C17H15NO5/c1-10-13(16(19)21-2)8-12(23-10)9-22-17(20)15-7-11-5-3-4-6-14(11)18-15/h3-8,18H,9H2,1-2H3
InChIKeyWMVAJGURUHQQBS-UHFFFAOYSA-N
XLogP3.21
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate
CID 38670645
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707731
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726770
methyl 5-[(4-chlorobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2481052
butyl 1H-indole-2-carboxylate
CID 54052397
methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
CID 2097734
methyl 5-[[4-(difluoromethylsulfonyl)benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7679809
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2098215
pyridin-2-ylmethyl 1H-indole-2-carboxylate
CID 46558412
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate
CID 18777229

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate?
The IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate (CID 7722921) is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate.
What is the SMILES notation for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate?
The canonical SMILES for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate is COC(=O)c1cc(COC(=O)c2cc3ccccc3[nH]2)oc1C.
What is the InChIKey of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate?
The InChIKey is WMVAJGURUHQQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-10-13(16(19)21-2)8-12(23-10)9-22-17(20)15-7-11-5-3-4-6-14(11)18-15/h3-8,18H,9H2,1-2H3.
What are the key properties of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate?
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate is sourced from PubChem (CID 7722921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).