3-(aminomethyl)-1-benzofuran-2-carboxamide

C10H10N2O2 — CID 47003249

IUPAC3-(aminomethyl)-1-benzofuran-2-carboxamide
SMILESNCc1c(C(N)=O)oc2ccccc12
InChIInChI=1S/C10H10N2O2/c11-5-7-6-3-1-2-4-8(6)14-9(7)10(12)13/h1-4H,5,11H2,(H2,12,13)
InChIKeyXCLVOKQBAZMTIN-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.99
Rot. Bonds2

About 3-(aminomethyl)-1-benzofuran-2-carboxamide

3-(aminomethyl)-1-benzofuran-2-carboxamide (PubChem CID 47003249) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(aminomethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-1-benzofuran-2-carboxamide
PubChem CID47003249
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-(aminomethyl)-1-benzofuran-2-carboxamide
SMILESNCc1c(C(N)=O)oc2ccccc12
InChIInChI=1S/C10H10N2O2/c11-5-7-6-3-1-2-4-8(6)14-9(7)10(12)13/h1-4H,5,11H2,(H2,12,13)
InChIKeyXCLVOKQBAZMTIN-UHFFFAOYSA-N
XLogP0.99
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(aminomethyl)-1-benzofuran-2-carboxamide (CID 47003249) is 3-(aminomethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(aminomethyl)-1-benzofuran-2-carboxamide is NCc1c(C(N)=O)oc2ccccc12.
What is the InChIKey of 3-(aminomethyl)-1-benzofuran-2-carboxamide?
The InChIKey is XCLVOKQBAZMTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-5-7-6-3-1-2-4-8(6)14-9(7)10(12)13/h1-4H,5,11H2,(H2,12,13).
What are the key properties of 3-(aminomethyl)-1-benzofuran-2-carboxamide?
3-(aminomethyl)-1-benzofuran-2-carboxamide has a molecular weight of 190.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47003249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).