(1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol

C7H9ClO — CID 130908196

IUPAC(1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol
SMILESO[C@@H]1[C@H](Cl)[C@@H]2C=CC[C@H]12
InChIInChI=1S/C7H9ClO/c8-6-4-2-1-3-5(4)7(6)9/h1-2,4-7,9H,3H2/t4-,5+,6-,7+/m1/s1
InChIKeyBEPJRTOKPLRSOE-UCROKIRRSA-N
MW144.60 g/mol
LogP1.16
Rot. Bonds

About (1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol

(1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol (PubChem CID 130908196) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is (1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol.

Molecular Properties

Compound Name(1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol
PubChem CID130908196
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Name(1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol
SMILESO[C@@H]1[C@H](Cl)[C@@H]2C=CC[C@H]12
InChIInChI=1S/C7H9ClO/c8-6-4-2-1-3-5(4)7(6)9/h1-2,4-7,9H,3H2/t4-,5+,6-,7+/m1/s1
InChIKeyBEPJRTOKPLRSOE-UCROKIRRSA-N
XLogP1.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bicyclo[3.2.0]hept-2-en-6-ol
CID 10866282
Endo-bicyclo(3,2,0)hept-2-en-6-ol
CID 11116010
(1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol
CID 12648742
7,7-Dichlorobicyclo[3.2.0]hept-2-en-6-ol
CID 548737
(1R)-bicyclo[3.2.0]hept-2-en-6-ol
CID 53956929
(1S)-bicyclo[3.2.0]hept-2-en-6-ol
CID 57108664
(1S,5R)-bicyclo[3.2.0]hept-2-en-6-ol
CID 10942373
(1R,5S,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol
CID 11298288
(1S,5R,6R)-bicyclo[3.2.0]hept-2-en-6-ol
CID 12648739
(1S,5R,6R)-7,7-dichlorobicyclo[3.2.0]hept-2-en-6-ol
CID 13905406
8-Chlorobicyclo[4.2.0]oct-2-en-7-ol
CID 14162152
(1R,6S,7S,8S)-8-chlorobicyclo[4.2.0]oct-2-en-7-ol
CID 14162154

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol?
The IUPAC name of (1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol (CID 130908196) is (1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol.
What is the SMILES notation for (1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol?
The canonical SMILES for (1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol is O[C@@H]1[C@H](Cl)[C@@H]2C=CC[C@H]12.
What is the InChIKey of (1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol?
The InChIKey is BEPJRTOKPLRSOE-UCROKIRRSA-N. The full InChI is InChI=1S/C7H9ClO/c8-6-4-2-1-3-5(4)7(6)9/h1-2,4-7,9H,3H2/t4-,5+,6-,7+/m1/s1.
What are the key properties of (1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol?
(1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol has a molecular weight of 144.60 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S,7R)-7-chlorobicyclo[3.2.0]hept-2-en-6-ol is sourced from PubChem (CID 130908196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).