CID 146949857

C8H7AlN2O — CID 146949857

IUPAC—
SMILESNC1([Al])C(=O)Nc2ccccc21
InChIInChI=1S/C8H7N2O.Al/c9-7-5-3-1-2-4-6(5)10-8(7)11;/h1-4H,9H2,(H,10,11);
InChIKeySFJCDBUVBULXJJ-UHFFFAOYSA-N
MW174.14 g/mol
LogP-0.08
Rot. Bonds

About CID 146949857

CID 146949857 (PubChem CID 146949857) has the molecular formula C8H7AlN2O and a molecular weight of 174.14 g/mol.

Molecular Properties

Compound NameCID 146949857
PubChem CID146949857
Molecular FormulaC8H7AlN2O
Molecular Weight174.14 g/mol
Exact Mass174.04
IUPAC Name—
SMILESNC1([Al])C(=O)Nc2ccccc21
InChIInChI=1S/C8H7N2O.Al/c9-7-5-3-1-2-4-6(5)10-8(7)11;/h1-4H,9H2,(H,10,11);
InChIKeySFJCDBUVBULXJJ-UHFFFAOYSA-N
XLogP-0.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-ethyl-3-propan-2-yl-1H-indol-2-one
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(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
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CID 54484011
methanamine;spiro[1H-indole-3,3'-azanidacyclobutane]-2-one;yttrium
CID 176955340
3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
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spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
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Frequently Asked Questions

What is the IUPAC name of CID 146949857?
The IUPAC name of CID 146949857 (CID 146949857) is not available.
What is the SMILES notation for CID 146949857?
The canonical SMILES for CID 146949857 is NC1([Al])C(=O)Nc2ccccc21.
What is the InChIKey of CID 146949857?
The InChIKey is SFJCDBUVBULXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2O.Al/c9-7-5-3-1-2-4-6(5)10-8(7)11;/h1-4H,9H2,(H,10,11);.
What are the key properties of CID 146949857?
CID 146949857 has a molecular weight of 174.14 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146949857 is sourced from PubChem (CID 146949857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).