3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol

C8H13NO — CID 123506772

IUPAC3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol
SMILESC/N=C/C1C(O)C2CCC12
InChIInChI=1S/C8H13NO/c1-9-4-7-5-2-3-6(5)8(7)10/h4-8,10H,2-3H2,1H3/b9-4+
InChIKeyGPHOBYAPJGXXAG-RUDMXATFSA-N
MW139.20 g/mol
LogP0.70
Rot. Bonds1

About 3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol

3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol (PubChem CID 123506772) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol.

Molecular Properties

Compound Name3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol
PubChem CID123506772
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol
SMILESC/N=C/C1C(O)C2CCC12
InChIInChI=1S/C8H13NO/c1-9-4-7-5-2-3-6(5)8(7)10/h4-8,10H,2-3H2,1H3/b9-4+
InChIKeyGPHOBYAPJGXXAG-RUDMXATFSA-N
XLogP0.70
TPSA32.59 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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(Methyliminomethyl)cyclohexan-1-ol
CID 130445428
2-(Methyliminomethyl)cyclohexan-1-ol
CID 140508996

Frequently Asked Questions

What is the IUPAC name of 3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol?
The IUPAC name of 3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol (CID 123506772) is 3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol.
What is the SMILES notation for 3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol?
The canonical SMILES for 3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol is C/N=C/C1C(O)C2CCC12.
What is the InChIKey of 3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol?
The InChIKey is GPHOBYAPJGXXAG-RUDMXATFSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-4-7-5-2-3-6(5)8(7)10/h4-8,10H,2-3H2,1H3/b9-4+.
What are the key properties of 3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol?
3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol has a molecular weight of 139.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methyliminomethyl)bicyclo[2.2.0]hexan-2-ol is sourced from PubChem (CID 123506772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).