CID 162723245

C7H8AlNO — CID 162723245

IUPAC—
SMILESCC(O)([Al])c1ccccn1
InChIInChI=1S/C7H8NO.Al/c1-6(9)7-4-2-3-5-8-7;/h2-5,9H,1H3;
InChIKeyWKUGFBRUZOJESB-UHFFFAOYSA-N
MW149.13 g/mol
LogP0.42
Rot. Bonds1

About CID 162723245

CID 162723245 (PubChem CID 162723245) has the molecular formula C7H8AlNO and a molecular weight of 149.13 g/mol.

Molecular Properties

Compound NameCID 162723245
PubChem CID162723245
Molecular FormulaC7H8AlNO
Molecular Weight149.13 g/mol
Exact Mass149.04
IUPAC Name—
SMILESCC(O)([Al])c1ccccn1
InChIInChI=1S/C7H8NO.Al/c1-6(9)7-4-2-3-5-8-7;/h2-5,9H,1H3;
InChIKeyWKUGFBRUZOJESB-UHFFFAOYSA-N
XLogP0.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.13
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143616932
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2-amino-2-pyridin-2-ylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 162723245?
The IUPAC name of CID 162723245 (CID 162723245) is not available.
What is the SMILES notation for CID 162723245?
The canonical SMILES for CID 162723245 is CC(O)([Al])c1ccccn1.
What is the InChIKey of CID 162723245?
The InChIKey is WKUGFBRUZOJESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO.Al/c1-6(9)7-4-2-3-5-8-7;/h2-5,9H,1H3;.
What are the key properties of CID 162723245?
CID 162723245 has a molecular weight of 149.13 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162723245 is sourced from PubChem (CID 162723245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).