3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one

C17H17NO2 — CID 105103302

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one
SMILESCc1cncc(C(=O)CCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H17NO2/c1-12-8-15(11-18-10-12)16(19)4-2-13-3-5-17-14(9-13)6-7-20-17/h3,5,8-11H,2,4,6-7H2,1H3
InChIKeyLZOAKQMPQDCPEN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.14
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one (PubChem CID 105103302) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one
PubChem CID105103302
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one
SMILESCc1cncc(C(=O)CCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H17NO2/c1-12-8-15(11-18-10-12)16(19)4-2-13-3-5-17-14(9-13)6-7-20-17/h3,5,8-11H,2,4,6-7H2,1H3
InChIKeyLZOAKQMPQDCPEN-UHFFFAOYSA-N
XLogP3.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one
CID 65444924
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one
CID 114974271
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one
CID 43338452
1-(cyclopenten-1-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 103447993
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
CID 65446245
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one
CID 65441462
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylsulfanylphenyl)propan-1-one
CID 114974257
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhex-4-en-3-one
CID 103455479
1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116590101
1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 65447195

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one (CID 105103302) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one is Cc1cncc(C(=O)CCc2ccc3c(c2)CCO3)c1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one?
The InChIKey is LZOAKQMPQDCPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-8-15(11-18-10-12)16(19)4-2-13-3-5-17-14(9-13)6-7-20-17/h3,5,8-11H,2,4,6-7H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 105103302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).