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

C11H15NO2 — CID 141469866

IUPAC2,4-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(N)=O)C(C)CCC2
InChIInChI=1S/C11H15NO2/c1-6-4-3-5-8-9(6)10(11(12)13)7(2)14-8/h6H,3-5H2,1-2H3,(H2,12,13)
InChIKeyODLCNNVVQIWCEP-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.13
Rot. Bonds1

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

2,4-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (PubChem CID 141469866) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2,4-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
PubChem CID141469866
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2,4-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(N)=O)C(C)CCC2
InChIInChI=1S/C11H15NO2/c1-6-4-3-5-8-9(6)10(11(12)13)7(2)14-8/h6H,3-5H2,1-2H3,(H2,12,13)
InChIKeyODLCNNVVQIWCEP-UHFFFAOYSA-N
XLogP2.13
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (CID 141469866) is 2,4-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is Cc1oc2c(c1C(N)=O)C(C)CCC2.
What is the InChIKey of 2,4-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The InChIKey is ODLCNNVVQIWCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-6-4-3-5-8-9(6)10(11(12)13)7(2)14-8/h6H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 2,4-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
2,4-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 141469866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).