(5S)-4-methoxy-2-azabicyclo[3.1.0]hexane

C6H11NO — CID 143686087

IUPAC(5S)-4-methoxy-2-azabicyclo[3.1.0]hexane
SMILESCOC1CNC2C[C@@H]21
InChIInChI=1S/C6H11NO/c1-8-6-3-7-5-2-4(5)6/h4-7H,2-3H2,1H3/t4-,5?,6?/m0/s1
InChIKeyAITCRSSLCZAIPN-KXGSVCODSA-N
MW113.16 g/mol
LogP-0.01
Rot. Bonds1

About (5S)-4-methoxy-2-azabicyclo[3.1.0]hexane

(5S)-4-methoxy-2-azabicyclo[3.1.0]hexane (PubChem CID 143686087) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (5S)-4-methoxy-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(5S)-4-methoxy-2-azabicyclo[3.1.0]hexane
PubChem CID143686087
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(5S)-4-methoxy-2-azabicyclo[3.1.0]hexane
SMILESCOC1CNC2C[C@@H]21
InChIInChI=1S/C6H11NO/c1-8-6-3-7-5-2-4(5)6/h4-7H,2-3H2,1H3/t4-,5?,6?/m0/s1
InChIKeyAITCRSSLCZAIPN-KXGSVCODSA-N
XLogP-0.01
TPSA21.26 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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-methoxy-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (5S)-4-methoxy-2-azabicyclo[3.1.0]hexane (CID 143686087) is (5S)-4-methoxy-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (5S)-4-methoxy-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (5S)-4-methoxy-2-azabicyclo[3.1.0]hexane is COC1CNC2C[C@@H]21.
What is the InChIKey of (5S)-4-methoxy-2-azabicyclo[3.1.0]hexane?
The InChIKey is AITCRSSLCZAIPN-KXGSVCODSA-N. The full InChI is InChI=1S/C6H11NO/c1-8-6-3-7-5-2-4(5)6/h4-7H,2-3H2,1H3/t4-,5?,6?/m0/s1.
What are the key properties of (5S)-4-methoxy-2-azabicyclo[3.1.0]hexane?
(5S)-4-methoxy-2-azabicyclo[3.1.0]hexane has a molecular weight of 113.16 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-methoxy-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 143686087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).