CID 163871249

C10H8AlNO2 — CID 163871249

IUPAC—
SMILESCC([Al])N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H8NO2.Al/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13;/h2-6H,1H3;
InChIKeyZFOKUQREQMICAC-UHFFFAOYSA-N
MW201.16 g/mol
LogP0.80
Rot. Bonds1

About CID 163871249

CID 163871249 (PubChem CID 163871249) has the molecular formula C10H8AlNO2 and a molecular weight of 201.16 g/mol.

Molecular Properties

Compound NameCID 163871249
PubChem CID163871249
Molecular FormulaC10H8AlNO2
Molecular Weight201.16 g/mol
Exact Mass201.04
IUPAC Name—
SMILESCC([Al])N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H8NO2.Al/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13;/h2-6H,1H3;
InChIKeyZFOKUQREQMICAC-UHFFFAOYSA-N
XLogP0.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-(2,5-dimethyl-4-oxohexan-3-yl)isoindole-1,3-dione
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N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide
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2-(3-oxobutan-2-yl)isoindole-1,3-dione
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CID 10512957
N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide
CID 70491073
2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 1121128
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CID 19205374
(2R)-2-(1,3-dioxoisoindol-2-yl)propanethioamide
CID 833261
tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))
CID 56647031
potassium 1-(1,3-dioxoisoindol-2-yl)ethanesulfonate
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Frequently Asked Questions

What is the IUPAC name of CID 163871249?
The IUPAC name of CID 163871249 (CID 163871249) is not available.
What is the SMILES notation for CID 163871249?
The canonical SMILES for CID 163871249 is CC([Al])N1C(=O)c2ccccc2C1=O.
What is the InChIKey of CID 163871249?
The InChIKey is ZFOKUQREQMICAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8NO2.Al/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13;/h2-6H,1H3;.
What are the key properties of CID 163871249?
CID 163871249 has a molecular weight of 201.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163871249 is sourced from PubChem (CID 163871249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).