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

C8H13NO — CID 155233381

IUPAC[(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol
SMILESCN1C[C@H]2C=C[C@H]2[C@H]1CO
InChIInChI=1S/C8H13NO/c1-9-4-6-2-3-7(6)8(9)5-10/h2-3,6-8,10H,4-5H2,1H3/t6-,7-,8-/m1/s1
InChIKeyDGEBPZQSSVHZBT-BWZBUEFSSA-N
MW139.20 g/mol
LogP0.09
Rot. Bonds1

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

[(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol (PubChem CID 155233381) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is [(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol.

Molecular Properties

Compound Name[(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol
PubChem CID155233381
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name[(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol
SMILESCN1C[C@H]2C=C[C@H]2[C@H]1CO
InChIInChI=1S/C8H13NO/c1-9-4-6-2-3-7(6)8(9)5-10/h2-3,6-8,10H,4-5H2,1H3/t6-,7-,8-/m1/s1
InChIKeyDGEBPZQSSVHZBT-BWZBUEFSSA-N
XLogP0.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
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 [(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol?
The IUPAC name of [(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol (CID 155233381) is [(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol.
What is the SMILES notation for [(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol?
The canonical SMILES for [(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol is CN1C[C@H]2C=C[C@H]2[C@H]1CO.
What is the InChIKey of [(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol?
The InChIKey is DGEBPZQSSVHZBT-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-4-6-2-3-7(6)8(9)5-10/h2-3,6-8,10H,4-5H2,1H3/t6-,7-,8-/m1/s1.
What are the key properties of [(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol?
[(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol has a molecular weight of 139.20 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol is sourced from PubChem (CID 155233381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).