2-ethyl-1,3-benzodioxole-5-carboxamide

C10H11NO3 — CID 137423429

IUPAC2-ethyl-1,3-benzodioxole-5-carboxamide
SMILESCCC1Oc2ccc(C(N)=O)cc2O1
InChIInChI=1S/C10H11NO3/c1-2-9-13-7-4-3-6(10(11)12)5-8(7)14-9/h3-5,9H,2H2,1H3,(H2,11,12)
InChIKeyYZSDICTWQMQLKH-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.29
Rot. Bonds2

About 2-ethyl-1,3-benzodioxole-5-carboxamide

2-ethyl-1,3-benzodioxole-5-carboxamide (PubChem CID 137423429) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-ethyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-1,3-benzodioxole-5-carboxamide
PubChem CID137423429
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-ethyl-1,3-benzodioxole-5-carboxamide
SMILESCCC1Oc2ccc(C(N)=O)cc2O1
InChIInChI=1S/C10H11NO3/c1-2-9-13-7-4-3-6(10(11)12)5-8(7)14-9/h3-5,9H,2H2,1H3,(H2,11,12)
InChIKeyYZSDICTWQMQLKH-UHFFFAOYSA-N
XLogP1.29
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 2-ethyl-1,3-benzodioxole-5-carboxamide (CID 137423429) is 2-ethyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 2-ethyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 2-ethyl-1,3-benzodioxole-5-carboxamide is CCC1Oc2ccc(C(N)=O)cc2O1.
What is the InChIKey of 2-ethyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is YZSDICTWQMQLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-9-13-7-4-3-6(10(11)12)5-8(7)14-9/h3-5,9H,2H2,1H3,(H2,11,12).
What are the key properties of 2-ethyl-1,3-benzodioxole-5-carboxamide?
2-ethyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 193.20 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 137423429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).