3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide

C14H17NO2 — CID 118096817

IUPAC3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide
SMILESCc1cc2c(cc1C(N)=O)C1CCCC1(C)O2
InChIInChI=1S/C14H17NO2/c1-8-6-12-10(7-9(8)13(15)16)11-4-3-5-14(11,2)17-12/h6-7,11H,3-5H2,1-2H3,(H2,15,16)
InChIKeyZPWSDCRGFXIUDJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.51
Rot. Bonds1

About 3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide

3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide (PubChem CID 118096817) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide.

Molecular Properties

Compound Name3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide
PubChem CID118096817
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide
SMILESCc1cc2c(cc1C(N)=O)C1CCCC1(C)O2
InChIInChI=1S/C14H17NO2/c1-8-6-12-10(7-9(8)13(15)16)11-4-3-5-14(11,2)17-12/h6-7,11H,3-5H2,1-2H3,(H2,15,16)
InChIKeyZPWSDCRGFXIUDJ-UHFFFAOYSA-N
XLogP2.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide?
The IUPAC name of 3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide (CID 118096817) is 3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide.
What is the SMILES notation for 3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide?
The canonical SMILES for 3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide is Cc1cc2c(cc1C(N)=O)C1CCCC1(C)O2.
What is the InChIKey of 3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide?
The InChIKey is ZPWSDCRGFXIUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-8-6-12-10(7-9(8)13(15)16)11-4-3-5-14(11,2)17-12/h6-7,11H,3-5H2,1-2H3,(H2,15,16).
What are the key properties of 3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide?
3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide has a molecular weight of 231.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide is sourced from PubChem (CID 118096817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).