2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide

C15H18N2O2 — CID 62233556

IUPAC2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
SMILESCCCC(C#N)C(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C15H18N2O2/c1-2-5-12(9-16)15(18)17-10-13-8-11-6-3-4-7-14(11)19-13/h3-4,6-7,12-13H,2,5,8,10H2,1H3,(H,17,18)
InChIKeyCJTFMHIVPFFEHE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.05
Rot. Bonds5

About 2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide

2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide (PubChem CID 62233556) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
PubChem CID62233556
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
SMILESCCCC(C#N)C(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C15H18N2O2/c1-2-5-12(9-16)15(18)17-10-13-8-11-6-3-4-7-14(11)19-13/h3-4,6-7,12-13H,2,5,8,10H2,1H3,(H,17,18)
InChIKeyCJTFMHIVPFFEHE-UHFFFAOYSA-N
XLogP2.05
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide?
The IUPAC name of 2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide (CID 62233556) is 2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide?
The canonical SMILES for 2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide is CCCC(C#N)C(=O)NCC1Cc2ccccc2O1.
What is the InChIKey of 2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide?
The InChIKey is CJTFMHIVPFFEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-5-12(9-16)15(18)17-10-13-8-11-6-3-4-7-14(11)19-13/h3-4,6-7,12-13H,2,5,8,10H2,1H3,(H,17,18).
What are the key properties of 2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide?
2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide has a molecular weight of 258.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide is sourced from PubChem (CID 62233556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).