(1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol

C8H13NO — CID 124538939

IUPAC(1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol
SMILESNC[C@]1(O)C[C@H]2C=CC[C@H]21
InChIInChI=1S/C8H13NO/c9-5-8(10)4-6-2-1-3-7(6)8/h1-2,6-7,10H,3-5,9H2/t6-,7-,8-/m1/s1
InChIKeyFABIDULBFMAJAY-BWZBUEFSSA-N
MW139.20 g/mol
LogP0.27
Rot. Bonds1

About (1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol

(1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol (PubChem CID 124538939) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol.

Molecular Properties

Compound Name(1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol
PubChem CID124538939
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol
SMILESNC[C@]1(O)C[C@H]2C=CC[C@H]21
InChIInChI=1S/C8H13NO/c9-5-8(10)4-6-2-1-3-7(6)8/h1-2,6-7,10H,3-5,9H2/t6-,7-,8-/m1/s1
InChIKeyFABIDULBFMAJAY-BWZBUEFSSA-N
XLogP0.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.27
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,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol?
The IUPAC name of (1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol (CID 124538939) is (1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol.
What is the SMILES notation for (1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol?
The canonical SMILES for (1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol is NC[C@]1(O)C[C@H]2C=CC[C@H]21.
What is the InChIKey of (1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol?
The InChIKey is FABIDULBFMAJAY-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H13NO/c9-5-8(10)4-6-2-1-3-7(6)8/h1-2,6-7,10H,3-5,9H2/t6-,7-,8-/m1/s1.
What are the key properties of (1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol?
(1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol has a molecular weight of 139.20 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hept-2-en-6-ol is sourced from PubChem (CID 124538939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).