(5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone

C15H17NO3 — CID 136567414

IUPAC(5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone
SMILESCCc1ccc2occ(C(=O)N3CCC3CO)c2c1
InChIInChI=1S/C15H17NO3/c1-2-10-3-4-14-12(7-10)13(9-19-14)15(18)16-6-5-11(16)8-17/h3-4,7,9,11,17H,2,5-6,8H2,1H3
InChIKeyFCCPZWXONLNSAC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.20
Rot. Bonds3

About (5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone

(5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone (PubChem CID 136567414) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone
PubChem CID136567414
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone
SMILESCCc1ccc2occ(C(=O)N3CCC3CO)c2c1
InChIInChI=1S/C15H17NO3/c1-2-10-3-4-14-12(7-10)13(9-19-14)15(18)16-6-5-11(16)8-17/h3-4,7,9,11,17H,2,5-6,8H2,1H3
InChIKeyFCCPZWXONLNSAC-UHFFFAOYSA-N
XLogP2.20
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59275265
2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide
CID 141421776
LPA1-3 agonist CpX
CID 154733034
LPA1-3 agonist CpY
CID 154733035
(5R,6S)-3-(4-carbamoyldibenzofuran-2-yl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 10319133
N,N-dimethyl-2-{4-[(2-methyl-1-benzofuran-7-yl)carbonyl]-2-morpholinyl}ethanamine
CID 45181990
3-(4-methoxy-2-methylphenyl)-N-propan-2-yl-1-benzofuran-7-carboxamide
CID 49795126
1-(1-Benzofuran-3-ylcarbonyl)-4-(hydroxymethyl)-4-azepanol
CID 56900521
1-Benzofuran-3-yl(pyrrolidin-1-yl)methanone
CID 64120500
(3R*,4R*)-4-ethyl-1-[(2-methyl-1-benzofuran-7-yl)carbonyl]piperidine-3,4-diol
CID 70724657
(3R*,4S*)-3,4-dimethyl-1-[(2-methyl-1-benzofuran-7-yl)carbonyl]piperidin-4-ol
CID 70732631
(3R*,4R*)-4-amino-1-[(2-methyl-1-benzofuran-7-yl)carbonyl]piperidin-3-ol
CID 70762522

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone (CID 136567414) is (5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone is CCc1ccc2occ(C(=O)N3CCC3CO)c2c1.
What is the InChIKey of (5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone?
The InChIKey is FCCPZWXONLNSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-10-3-4-14-12(7-10)13(9-19-14)15(18)16-6-5-11(16)8-17/h3-4,7,9,11,17H,2,5-6,8H2,1H3.
What are the key properties of (5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone?
(5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone has a molecular weight of 259.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 136567414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).