CID 89114350

C11H10BNO2 — CID 89114350

IUPAC—
SMILES[B]c1cccc2[nH]cc(CC(=O)OC)c12
InChIInChI=1S/C11H10BNO2/c1-15-10(14)5-7-6-13-9-4-2-3-8(12)11(7)9/h2-4,6,13H,5H2,1H3
InChIKeyBWCBMFPKDNMGPO-UHFFFAOYSA-N
MW199.02 g/mol
LogP0.68
Rot. Bonds2

About CID 89114350

CID 89114350 (PubChem CID 89114350) has the molecular formula C11H10BNO2 and a molecular weight of 199.02 g/mol.

Molecular Properties

Compound NameCID 89114350
PubChem CID89114350
Molecular FormulaC11H10BNO2
Molecular Weight199.02 g/mol
Exact Mass199.08
IUPAC Name—
SMILES[B]c1cccc2[nH]cc(CC(=O)OC)c12
InChIInChI=1S/C11H10BNO2/c1-15-10(14)5-7-6-13-9-4-2-3-8(12)11(7)9/h2-4,6,13H,5H2,1H3
InChIKeyBWCBMFPKDNMGPO-UHFFFAOYSA-N
XLogP0.68
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.02
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[5-hydroxy-4-(iodomethyl)-1H-indol-3-yl]acetate
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1-(4-methyl-1H-indol-3-yl)propan-2-one
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methyl 2-(6-methyl-1H-indol-3-yl)acetate
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2-(4-ethoxy-1H-indol-3-yl)acetic acid
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2-(4-methyl-1H-indol-3-yl)acetamide
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methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
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(2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate
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N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
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2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
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N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
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methyl 3-(ethylsulfanylmethyl)-1H-indole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of CID 89114350?
The IUPAC name of CID 89114350 (CID 89114350) is not available.
What is the SMILES notation for CID 89114350?
The canonical SMILES for CID 89114350 is [B]c1cccc2[nH]cc(CC(=O)OC)c12.
What is the InChIKey of CID 89114350?
The InChIKey is BWCBMFPKDNMGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BNO2/c1-15-10(14)5-7-6-13-9-4-2-3-8(12)11(7)9/h2-4,6,13H,5H2,1H3.
What are the key properties of CID 89114350?
CID 89114350 has a molecular weight of 199.02 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89114350 is sourced from PubChem (CID 89114350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).