[(3S)-oxolan-3-yl]azanium

C4H10NO+ — CID 40602812

IUPAC[(3S)-oxolan-3-yl]azanium
SMILES[NH3+][C@H]1CCOC1
InChIInChI=1S/C4H9NO/c5-4-1-2-6-3-4/h4H,1-3,5H2/p+1/t4-/m0/s1
InChIKeyMIPHRQMEIYLZFZ-BYPYZUCNSA-O
MW88.13 g/mol
LogP-0.98
Rot. Bonds

About [(3S)-oxolan-3-yl]azanium

[(3S)-oxolan-3-yl]azanium (PubChem CID 40602812) has the molecular formula C4H10NO+ and a molecular weight of 88.13 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl]azanium.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl]azanium
PubChem CID40602812
Molecular FormulaC4H10NO+
Molecular Weight88.13 g/mol
Exact Mass88.08
IUPAC Name[(3S)-oxolan-3-yl]azanium
SMILES[NH3+][C@H]1CCOC1
InChIInChI=1S/C4H9NO/c5-4-1-2-6-3-4/h4H,1-3,5H2/p+1/t4-/m0/s1
InChIKeyMIPHRQMEIYLZFZ-BYPYZUCNSA-O
XLogP-0.98
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.13
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl]azanium?
The IUPAC name of [(3S)-oxolan-3-yl]azanium (CID 40602812) is [(3S)-oxolan-3-yl]azanium.
What is the SMILES notation for [(3S)-oxolan-3-yl]azanium?
The canonical SMILES for [(3S)-oxolan-3-yl]azanium is [NH3+][C@H]1CCOC1.
What is the InChIKey of [(3S)-oxolan-3-yl]azanium?
The InChIKey is MIPHRQMEIYLZFZ-BYPYZUCNSA-O. The full InChI is InChI=1S/C4H9NO/c5-4-1-2-6-3-4/h4H,1-3,5H2/p+1/t4-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl]azanium?
[(3S)-oxolan-3-yl]azanium has a molecular weight of 88.13 g/mol, XLogP of -0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl]azanium is sourced from PubChem (CID 40602812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).