(3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one

C15H15NO5 — CID 7657839

IUPAC(3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)O[C@H]2NCc1ccco1
InChIInChI=1S/C15H15NO5/c1-18-11-6-5-10-12(13(11)19-2)15(17)21-14(10)16-8-9-4-3-7-20-9/h3-7,14,16H,8H2,1-2H3/t14-/m1/s1
InChIKeyIDVHPRIQNWQVPL-CQSZACIVSA-N
MW289.29 g/mol
LogP2.26
Rot. Bonds5

About (3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one

(3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one (PubChem CID 7657839) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is (3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one
PubChem CID7657839
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name(3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)O[C@H]2NCc1ccco1
InChIInChI=1S/C15H15NO5/c1-18-11-6-5-10-12(13(11)19-2)15(17)21-14(10)16-8-9-4-3-7-20-9/h3-7,14,16H,8H2,1-2H3/t14-/m1/s1
InChIKeyIDVHPRIQNWQVPL-CQSZACIVSA-N
XLogP2.26
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one?
The IUPAC name of (3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one (CID 7657839) is (3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for (3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one?
The canonical SMILES for (3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one is COc1ccc2c(c1OC)C(=O)O[C@H]2NCc1ccco1.
What is the InChIKey of (3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one?
The InChIKey is IDVHPRIQNWQVPL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15NO5/c1-18-11-6-5-10-12(13(11)19-2)15(17)21-14(10)16-8-9-4-3-7-20-9/h3-7,14,16H,8H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one?
(3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one has a molecular weight of 289.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(furan-2-ylmethylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 7657839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).