methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C17H21NO3 — CID 139687528

IUPACmethyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC=C(c2cccc3c2OC(C)C3C)CC1
InChIInChI=1S/C17H21NO3/c1-11-12(2)21-16-14(11)5-4-6-15(16)13-7-9-18(10-8-13)17(19)20-3/h4-7,11-12H,8-10H2,1-3H3
InChIKeyJFROGXADNQXYFJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.43
Rot. Bonds1

About methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 139687528) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID139687528
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namemethyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC=C(c2cccc3c2OC(C)C3C)CC1
InChIInChI=1S/C17H21NO3/c1-11-12(2)21-16-14(11)5-4-6-15(16)13-7-9-18(10-8-13)17(19)20-3/h4-7,11-12H,8-10H2,1-3H3
InChIKeyJFROGXADNQXYFJ-UHFFFAOYSA-N
XLogP3.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 139687528) is methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1CC=C(c2cccc3c2OC(C)C3C)CC1.
What is the InChIKey of methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is JFROGXADNQXYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-12(2)21-16-14(11)5-4-6-15(16)13-7-9-18(10-8-13)17(19)20-3/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 139687528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).