[(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol

C7H11NO — CID 170914901

IUPAC[(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol
SMILESOCC1NC[C@@H]2C=C[C@H]12
InChIInChI=1S/C7H11NO/c9-4-7-6-2-1-5(6)3-8-7/h1-2,5-9H,3-4H2/t5-,6-,7?/m0/s1
InChIKeyMQRRJJQQIMXPAG-WABBHOIFSA-N
MW125.17 g/mol
LogP-0.25
Rot. Bonds1

About [(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol

[(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol (PubChem CID 170914901) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is [(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol.

Molecular Properties

Compound Name[(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol
PubChem CID170914901
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name[(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol
SMILESOCC1NC[C@@H]2C=C[C@H]12
InChIInChI=1S/C7H11NO/c9-4-7-6-2-1-5(6)3-8-7/h1-2,5-9H,3-4H2/t5-,6-,7?/m0/s1
InChIKeyMQRRJJQQIMXPAG-WABBHOIFSA-N
XLogP-0.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol?
The IUPAC name of [(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol (CID 170914901) is [(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol.
What is the SMILES notation for [(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol?
The canonical SMILES for [(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol is OCC1NC[C@@H]2C=C[C@H]12.
What is the InChIKey of [(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol?
The InChIKey is MQRRJJQQIMXPAG-WABBHOIFSA-N. The full InChI is InChI=1S/C7H11NO/c9-4-7-6-2-1-5(6)3-8-7/h1-2,5-9H,3-4H2/t5-,6-,7?/m0/s1.
What are the key properties of [(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol?
[(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol has a molecular weight of 125.17 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol is sourced from PubChem (CID 170914901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).