[(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium

C6H12NO+ — CID 51382635

IUPAC[(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium
SMILES[NH3+]C[C@@H]1CCC=CO1
InChIInChI=1S/C6H11NO/c7-5-6-3-1-2-4-8-6/h2,4,6H,1,3,5,7H2/p+1/t6-/m0/s1
InChIKeyVNMHHVDXXHZGDU-LURJTMIESA-O
MW114.17 g/mol
LogP-0.08
Rot. Bonds1

About [(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium

[(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium (PubChem CID 51382635) has the molecular formula C6H12NO+ and a molecular weight of 114.17 g/mol. Its IUPAC name is [(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium.

Molecular Properties

Compound Name[(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium
PubChem CID51382635
Molecular FormulaC6H12NO+
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC Name[(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium
SMILES[NH3+]C[C@@H]1CCC=CO1
InChIInChI=1S/C6H11NO/c7-5-6-3-1-2-4-8-6/h2,4,6H,1,3,5,7H2/p+1/t6-/m0/s1
InChIKeyVNMHHVDXXHZGDU-LURJTMIESA-O
XLogP-0.08
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium?
The IUPAC name of [(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium (CID 51382635) is [(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium.
What is the SMILES notation for [(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium?
The canonical SMILES for [(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium is [NH3+]C[C@@H]1CCC=CO1.
What is the InChIKey of [(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium?
The InChIKey is VNMHHVDXXHZGDU-LURJTMIESA-O. The full InChI is InChI=1S/C6H11NO/c7-5-6-3-1-2-4-8-6/h2,4,6H,1,3,5,7H2/p+1/t6-/m0/s1.
What are the key properties of [(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium?
[(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium has a molecular weight of 114.17 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium is sourced from PubChem (CID 51382635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).