2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide

C10H13NO2 — CID 601519

IUPAC2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(N)=O)CCCC2
InChIInChI=1S/C10H13NO2/c1-6-9(10(11)12)7-4-2-3-5-8(7)13-6/h2-5H2,1H3,(H2,11,12)
InChIKeyGMJIQWWDVPHGSP-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.57
Rot. Bonds1

About 2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide

2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (PubChem CID 601519) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
PubChem CID601519
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(N)=O)CCCC2
InChIInChI=1S/C10H13NO2/c1-6-9(10(11)12)7-4-2-3-5-8(7)13-6/h2-5H2,1H3,(H2,11,12)
InChIKeyGMJIQWWDVPHGSP-UHFFFAOYSA-N
XLogP1.57
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (CID 601519) is 2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is Cc1oc2c(c1C(N)=O)CCCC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The InChIKey is GMJIQWWDVPHGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-9(10(11)12)7-4-2-3-5-8(7)13-6/h2-5H2,1H3,(H2,11,12).
What are the key properties of 2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 601519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).