(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane

C3H7AlN2O — CID 154559436

IUPAC(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane
SMILESCC1NN=C([AlH2])O1
InChIInChI=1S/C3H5N2O.Al.2H/c1-3-5-4-2-6-3;;;/h3,5H,1H3;;;
InChIKeyYLIVCIJSTMXXNY-UHFFFAOYSA-N
MW114.08 g/mol
LogP-1.14
Rot. Bonds

About (2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane

(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane (PubChem CID 154559436) has the molecular formula C3H7AlN2O and a molecular weight of 114.08 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane
PubChem CID154559436
Molecular FormulaC3H7AlN2O
Molecular Weight114.08 g/mol
Exact Mass114.04
IUPAC Name(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane
SMILESCC1NN=C([AlH2])O1
InChIInChI=1S/C3H5N2O.Al.2H/c1-3-5-4-2-6-3;;;/h3,5H,1H3;;;
InChIKeyYLIVCIJSTMXXNY-UHFFFAOYSA-N
XLogP-1.14
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.08
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane?
The IUPAC name of (2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane (CID 154559436) is (2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane.
What is the SMILES notation for (2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane?
The canonical SMILES for (2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane is CC1NN=C([AlH2])O1.
What is the InChIKey of (2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane?
The InChIKey is YLIVCIJSTMXXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N2O.Al.2H/c1-3-5-4-2-6-3;;;/h3,5H,1H3;;;.
What are the key properties of (2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane?
(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane has a molecular weight of 114.08 g/mol, XLogP of -1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)alumane is sourced from PubChem (CID 154559436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).