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

C10H11NO3 — CID 130012547

IUPACN-(2-methoxy-3H-1-benzofuran-2-yl)formamide
SMILESCOC1(NC=O)Cc2ccccc2O1
InChIInChI=1S/C10H11NO3/c1-13-10(11-7-12)6-8-4-2-3-5-9(8)14-10/h2-5,7H,6H2,1H3,(H,11,12)
InChIKeyCWRZOICDNSFRDU-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.67
Rot. Bonds3

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

N-(2-methoxy-3H-1-benzofuran-2-yl)formamide (PubChem CID 130012547) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is N-(2-methoxy-3H-1-benzofuran-2-yl)formamide.

Molecular Properties

Compound NameN-(2-methoxy-3H-1-benzofuran-2-yl)formamide
PubChem CID130012547
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC NameN-(2-methoxy-3H-1-benzofuran-2-yl)formamide
SMILESCOC1(NC=O)Cc2ccccc2O1
InChIInChI=1S/C10H11NO3/c1-13-10(11-7-12)6-8-4-2-3-5-9(8)14-10/h2-5,7H,6H2,1H3,(H,11,12)
InChIKeyCWRZOICDNSFRDU-UHFFFAOYSA-N
XLogP0.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3H-1-benzofuran-2-yl)formamide?
The IUPAC name of N-(2-methoxy-3H-1-benzofuran-2-yl)formamide (CID 130012547) is N-(2-methoxy-3H-1-benzofuran-2-yl)formamide.
What is the SMILES notation for N-(2-methoxy-3H-1-benzofuran-2-yl)formamide?
The canonical SMILES for N-(2-methoxy-3H-1-benzofuran-2-yl)formamide is COC1(NC=O)Cc2ccccc2O1.
What is the InChIKey of N-(2-methoxy-3H-1-benzofuran-2-yl)formamide?
The InChIKey is CWRZOICDNSFRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-10(11-7-12)6-8-4-2-3-5-9(8)14-10/h2-5,7H,6H2,1H3,(H,11,12).
What are the key properties of N-(2-methoxy-3H-1-benzofuran-2-yl)formamide?
N-(2-methoxy-3H-1-benzofuran-2-yl)formamide has a molecular weight of 193.20 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3H-1-benzofuran-2-yl)formamide is sourced from PubChem (CID 130012547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).