CID 171632715

C11H9BO2 — CID 171632715

IUPAC—
SMILES[B]C(C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C11H9BO2/c1-7(12)11(13)10-6-8-4-2-3-5-9(8)14-10/h2-7H,1H3
InChIKeyKUJNEZQZEDFJRO-UHFFFAOYSA-N
MW184.00 g/mol
LogP2.59
Rot. Bonds2

About CID 171632715

CID 171632715 (PubChem CID 171632715) has the molecular formula C11H9BO2 and a molecular weight of 184.00 g/mol.

Molecular Properties

Compound NameCID 171632715
PubChem CID171632715
Molecular FormulaC11H9BO2
Molecular Weight184.00 g/mol
Exact Mass184.07
IUPAC Name—
SMILES[B]C(C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C11H9BO2/c1-7(12)11(13)10-6-8-4-2-3-5-9(8)14-10/h2-7H,1H3
InChIKeyKUJNEZQZEDFJRO-UHFFFAOYSA-N
XLogP2.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.00
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one
CID 171632707
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
4-hydroxybutan-2-yl 1-benzofuran-2-carboxylate
CID 91575458
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone
CID 114726260
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898

Frequently Asked Questions

What is the IUPAC name of CID 171632715?
The IUPAC name of CID 171632715 (CID 171632715) is not available.
What is the SMILES notation for CID 171632715?
The canonical SMILES for CID 171632715 is [B]C(C)C(=O)c1cc2ccccc2o1.
What is the InChIKey of CID 171632715?
The InChIKey is KUJNEZQZEDFJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BO2/c1-7(12)11(13)10-6-8-4-2-3-5-9(8)14-10/h2-7H,1H3.
What are the key properties of CID 171632715?
CID 171632715 has a molecular weight of 184.00 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171632715 is sourced from PubChem (CID 171632715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).