1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide

C15H16N2O2 — CID 80501355

IUPAC1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC2COc3ccccc32)C1
InChIInChI=1S/C15H16N2O2/c1-10-6-15(7-10,9-16)14(18)17-12-8-19-13-5-3-2-4-11(12)13/h2-5,10,12H,6-8H2,1H3,(H,17,18)
InChIKeyGSJJZBBZJKEORW-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.18
Rot. Bonds2

About 1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide

1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide (PubChem CID 80501355) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide
PubChem CID80501355
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC2COc3ccccc32)C1
InChIInChI=1S/C15H16N2O2/c1-10-6-15(7-10,9-16)14(18)17-12-8-19-13-5-3-2-4-11(12)13/h2-5,10,12H,6-8H2,1H3,(H,17,18)
InChIKeyGSJJZBBZJKEORW-UHFFFAOYSA-N
XLogP2.18
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide (CID 80501355) is 1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NC2COc3ccccc32)C1.
What is the InChIKey of 1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is GSJJZBBZJKEORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-6-15(7-10,9-16)14(18)17-12-8-19-13-5-3-2-4-11(12)13/h2-5,10,12H,6-8H2,1H3,(H,17,18).
What are the key properties of 1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide?
1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80501355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).