1-benzofuran-3-yl-(1-methylcyclopropyl)methanone

C13H12O2 — CID 164656337

IUPAC1-benzofuran-3-yl-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)c2coc3ccccc23)CC1
InChIInChI=1S/C13H12O2/c1-13(6-7-13)12(14)10-8-15-11-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3
InChIKeyMNQGMFPUZOYKOM-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.42
Rot. Bonds2

About 1-benzofuran-3-yl-(1-methylcyclopropyl)methanone

1-benzofuran-3-yl-(1-methylcyclopropyl)methanone (PubChem CID 164656337) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-benzofuran-3-yl-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-(1-methylcyclopropyl)methanone
PubChem CID164656337
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name1-benzofuran-3-yl-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)c2coc3ccccc23)CC1
InChIInChI=1S/C13H12O2/c1-13(6-7-13)12(14)10-8-15-11-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3
InChIKeyMNQGMFPUZOYKOM-UHFFFAOYSA-N
XLogP3.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645
1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one
CID 115275136
2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one
CID 116915418
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone
CID 120808215
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide
CID 115760134
1-[1-benzofuran-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120539512
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
CID 89242212
CID 89242212
1-benzofuran-3-yl-(4-methoxyphenyl)methanone
CID 21487962
N',N'-dimethyl-1-benzofuran-3-carbohydrazide
CID 116848024
1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone
CID 97108997
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 113313648

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-(1-methylcyclopropyl)methanone?
The IUPAC name of 1-benzofuran-3-yl-(1-methylcyclopropyl)methanone (CID 164656337) is 1-benzofuran-3-yl-(1-methylcyclopropyl)methanone.
What is the SMILES notation for 1-benzofuran-3-yl-(1-methylcyclopropyl)methanone?
The canonical SMILES for 1-benzofuran-3-yl-(1-methylcyclopropyl)methanone is CC1(C(=O)c2coc3ccccc23)CC1.
What is the InChIKey of 1-benzofuran-3-yl-(1-methylcyclopropyl)methanone?
The InChIKey is MNQGMFPUZOYKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-13(6-7-13)12(14)10-8-15-11-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-benzofuran-3-yl-(1-methylcyclopropyl)methanone?
1-benzofuran-3-yl-(1-methylcyclopropyl)methanone has a molecular weight of 200.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 164656337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).