7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone

C16H15ClO2 — CID 115808619

IUPAC7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)C1C2CCCCC21
InChIInChI=1S/C16H15ClO2/c17-10-5-6-13-9(7-10)8-14(19-13)16(18)15-11-3-1-2-4-12(11)15/h5-8,11-12,15H,1-4H2
InChIKeyUEEWIAMQNOQQGL-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.71
Rot. Bonds2

About 7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone

7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone (PubChem CID 115808619) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone
PubChem CID115808619
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)C1C2CCCCC21
InChIInChI=1S/C16H15ClO2/c17-10-5-6-13-9(7-10)8-14(19-13)16(18)15-11-3-1-2-4-12(11)15/h5-8,11-12,15H,1-4H2
InChIKeyUEEWIAMQNOQQGL-UHFFFAOYSA-N
XLogP4.71
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808599
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114725457
[4-(aminomethyl)cyclohexyl]-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737009
5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
CID 9327354
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
5-chloro-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1-benzofuran-2-carboxamide
CID 155990029
(1-aminocyclobutyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737132
1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone
CID 114736387
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide
CID 111464277
5-chloro-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19240931

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone (CID 115808619) is 7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone is O=C(c1cc2cc(Cl)ccc2o1)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone?
The InChIKey is UEEWIAMQNOQQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c17-10-5-6-13-9(7-10)8-14(19-13)16(18)15-11-3-1-2-4-12(11)15/h5-8,11-12,15H,1-4H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone?
7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone has a molecular weight of 274.75 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115808619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).