N-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide

C10H9NO4 — CID 134845453

IUPACN-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide
SMILESCOc1cccc2c1C(=O)OC2NC=O
InChIInChI=1S/C10H9NO4/c1-14-7-4-2-3-6-8(7)10(13)15-9(6)11-5-12/h2-5,9H,1H3,(H,11,12)
InChIKeyZZGSXVMPFNSAFL-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.61
Rot. Bonds3

About N-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide

N-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide (PubChem CID 134845453) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is N-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide.

Molecular Properties

Compound NameN-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide
PubChem CID134845453
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC NameN-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide
SMILESCOc1cccc2c1C(=O)OC2NC=O
InChIInChI=1S/C10H9NO4/c1-14-7-4-2-3-6-8(7)10(13)15-9(6)11-5-12/h2-5,9H,1H3,(H,11,12)
InChIKeyZZGSXVMPFNSAFL-UHFFFAOYSA-N
XLogP0.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide?
The IUPAC name of N-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide (CID 134845453) is N-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide.
What is the SMILES notation for N-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide?
The canonical SMILES for N-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide is COc1cccc2c1C(=O)OC2NC=O.
What is the InChIKey of N-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide?
The InChIKey is ZZGSXVMPFNSAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-14-7-4-2-3-6-8(7)10(13)15-9(6)11-5-12/h2-5,9H,1H3,(H,11,12).
What are the key properties of N-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide?
N-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide has a molecular weight of 207.19 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)formamide is sourced from PubChem (CID 134845453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).