(1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine

C5H9NO — CID 67085028

IUPAC(1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine
SMILESNC1[C@H]2COC[C@H]12
InChIInChI=1S/C5H9NO/c6-5-3-1-7-2-4(3)5/h3-5H,1-2,6H2/t3-,4-/m0/s1
InChIKeyUVMHKNOMRGEMLC-IMJSIDKUSA-N
MW99.13 g/mol
LogP-0.41
Rot. Bonds

About (1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine

(1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine (PubChem CID 67085028) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine
PubChem CID67085028
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine
SMILESNC1[C@H]2COC[C@H]12
InChIInChI=1S/C5H9NO/c6-5-3-1-7-2-4(3)5/h3-5H,1-2,6H2/t3-,4-/m0/s1
InChIKeyUVMHKNOMRGEMLC-IMJSIDKUSA-N
XLogP-0.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine (CID 67085028) is (1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine is NC1[C@H]2COC[C@H]12.
What is the InChIKey of (1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine?
The InChIKey is UVMHKNOMRGEMLC-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H9NO/c6-5-3-1-7-2-4(3)5/h3-5H,1-2,6H2/t3-,4-/m0/s1.
What are the key properties of (1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine?
(1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine has a molecular weight of 99.13 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 67085028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).