(2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone

C12H13NO3 — CID 107469137

IUPAC(2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone
SMILESCOc1cccc(C(=O)C2=CCCO2)c1N
InChIInChI=1S/C12H13NO3/c1-15-9-5-2-4-8(11(9)13)12(14)10-6-3-7-16-10/h2,4-6H,3,7,13H2,1H3
InChIKeyXJDURLQFGHVUSJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.76
Rot. Bonds3

About (2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone

(2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone (PubChem CID 107469137) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone
PubChem CID107469137
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone
SMILESCOc1cccc(C(=O)C2=CCCO2)c1N
InChIInChI=1S/C12H13NO3/c1-15-9-5-2-4-8(11(9)13)12(14)10-6-3-7-16-10/h2,4-6H,3,7,13H2,1H3
InChIKeyXJDURLQFGHVUSJ-UHFFFAOYSA-N
XLogP1.76
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of (2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone (CID 107469137) is (2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for (2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone is COc1cccc(C(=O)C2=CCCO2)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is XJDURLQFGHVUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-15-9-5-2-4-8(11(9)13)12(14)10-6-3-7-16-10/h2,4-6H,3,7,13H2,1H3.
What are the key properties of (2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone?
(2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 219.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 107469137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).