alumanyl acetate;methane;pyridine

C8H14AlNO2 — CID 174839207

IUPACalumanyl acetate;methane;pyridine
SMILESC.CC(=O)O[AlH2].c1ccncc1
InChIInChI=1S/C5H5N.C2H4O2.CH4.Al.2H/c1-2-4-6-5-3-1;1-2(3)4;;;;/h1-5H;1H3,(H,3,4);1H4;;;/q;;;+1;;/p-1
InChIKeyPNVHCZYHYJLCIY-UHFFFAOYSA-M
MW183.19 g/mol
LogP0.82
Rot. Bonds

About alumanyl acetate;methane;pyridine

alumanyl acetate;methane;pyridine (PubChem CID 174839207) has the molecular formula C8H14AlNO2 and a molecular weight of 183.19 g/mol. Its IUPAC name is alumanyl acetate;methane;pyridine.

Molecular Properties

Compound Namealumanyl acetate;methane;pyridine
PubChem CID174839207
Molecular FormulaC8H14AlNO2
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Namealumanyl acetate;methane;pyridine
SMILESC.CC(=O)O[AlH2].c1ccncc1
InChIInChI=1S/C5H5N.C2H4O2.CH4.Al.2H/c1-2-4-6-5-3-1;1-2(3)4;;;;/h1-5H;1H3,(H,3,4);1H4;;;/q;;;+1;;/p-1
InChIKeyPNVHCZYHYJLCIY-UHFFFAOYSA-M
XLogP0.82
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of alumanyl acetate;methane;pyridine?
The IUPAC name of alumanyl acetate;methane;pyridine (CID 174839207) is alumanyl acetate;methane;pyridine.
What is the SMILES notation for alumanyl acetate;methane;pyridine?
The canonical SMILES for alumanyl acetate;methane;pyridine is C.CC(=O)O[AlH2].c1ccncc1.
What is the InChIKey of alumanyl acetate;methane;pyridine?
The InChIKey is PNVHCZYHYJLCIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5N.C2H4O2.CH4.Al.2H/c1-2-4-6-5-3-1;1-2(3)4;;;;/h1-5H;1H3,(H,3,4);1H4;;;/q;;;+1;;/p-1.
What are the key properties of alumanyl acetate;methane;pyridine?
alumanyl acetate;methane;pyridine has a molecular weight of 183.19 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumanyl acetate;methane;pyridine is sourced from PubChem (CID 174839207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).