[(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine

C6H11NO — CID 131968023

IUPAC[(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine
SMILESNC[C@H]1OC[C@@H]2CC21
InChIInChI=1S/C6H11NO/c7-2-6-5-1-4(5)3-8-6/h4-6H,1-3,7H2/t4-,5?,6+/m0/s1
InChIKeyVJLZZKIPMGSXPA-NOWQFEBASA-N
MW113.16 g/mol
LogP-0.02
Rot. Bonds1

About [(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine

[(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine (PubChem CID 131968023) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is [(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine
PubChem CID131968023
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name[(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine
SMILESNC[C@H]1OC[C@@H]2CC21
InChIInChI=1S/C6H11NO/c7-2-6-5-1-4(5)3-8-6/h4-6H,1-3,7H2/t4-,5?,6+/m0/s1
InChIKeyVJLZZKIPMGSXPA-NOWQFEBASA-N
XLogP-0.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine?
The IUPAC name of [(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine (CID 131968023) is [(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine.
What is the SMILES notation for [(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine?
The canonical SMILES for [(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine is NC[C@H]1OC[C@@H]2CC21.
What is the InChIKey of [(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine?
The InChIKey is VJLZZKIPMGSXPA-NOWQFEBASA-N. The full InChI is InChI=1S/C6H11NO/c7-2-6-5-1-4(5)3-8-6/h4-6H,1-3,7H2/t4-,5?,6+/m0/s1.
What are the key properties of [(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine?
[(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine has a molecular weight of 113.16 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methanamine is sourced from PubChem (CID 131968023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).