2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone

C15H13NO2 — CID 114744044

IUPAC2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)c1cccc2c1OCC2
InChIInChI=1S/C15H13NO2/c1-10-4-3-8-16-13(10)14(17)12-6-2-5-11-7-9-18-15(11)12/h2-6,8H,7,9H2,1H3
InChIKeyPBKYUGKBLSIKCM-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.56
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone

2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone (PubChem CID 114744044) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone
PubChem CID114744044
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)c1cccc2c1OCC2
InChIInChI=1S/C15H13NO2/c1-10-4-3-8-16-13(10)14(17)12-6-2-5-11-7-9-18-15(11)12/h2-6,8H,7,9H2,1H3
InChIKeyPBKYUGKBLSIKCM-UHFFFAOYSA-N
XLogP2.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone (CID 114744044) is 2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone is Cc1cccnc1C(=O)c1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone?
The InChIKey is PBKYUGKBLSIKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-4-3-8-16-13(10)14(17)12-6-2-5-11-7-9-18-15(11)12/h2-6,8H,7,9H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone?
2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone has a molecular weight of 239.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 114744044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).