2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone

C16H16N2O2 — CID 105128071

IUPAC2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16N2O2/c1-3-14-13(8-10(2)17-18-14)16(19)12-4-5-15-11(9-12)6-7-20-15/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyUBDMANHWVQNVIR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.51
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone

2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone (PubChem CID 105128071) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone
PubChem CID105128071
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16N2O2/c1-3-14-13(8-10(2)17-18-14)16(19)12-4-5-15-11(9-12)6-7-20-15/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyUBDMANHWVQNVIR-UHFFFAOYSA-N
XLogP2.51
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811856
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 127856330
(4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105093728
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone
CID 62301805
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone
CID 43462923
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027
2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 43338491
(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107469285
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107944745

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone (CID 105128071) is 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone is CCc1nnc(C)cc1C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The InChIKey is UBDMANHWVQNVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-14-13(8-10(2)17-18-14)16(19)12-4-5-15-11(9-12)6-7-20-15/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone?
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone has a molecular weight of 268.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone is sourced from PubChem (CID 105128071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).