(1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene

C7H8Cl2 — CID 23270288

IUPAC(1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene
SMILESCl[C@H]1[C@H](Cl)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C7H8Cl2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-7H,3H2/t4-,5+,6-,7-/m1/s1
InChIKeyZFSMTYOLNXPHEU-XZBKPIIZSA-N
MW163.05 g/mol
LogP2.41
Rot. Bonds

About (1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene

(1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene (PubChem CID 23270288) has the molecular formula C7H8Cl2 and a molecular weight of 163.05 g/mol. Its IUPAC name is (1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene
PubChem CID23270288
Molecular FormulaC7H8Cl2
Molecular Weight163.05 g/mol
Exact Mass162.00
IUPAC Name(1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene
SMILESCl[C@H]1[C@H](Cl)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C7H8Cl2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-7H,3H2/t4-,5+,6-,7-/m1/s1
InChIKeyZFSMTYOLNXPHEU-XZBKPIIZSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.05
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
10-chlorotricyclo[4.3.1.03,8]dec-4-ene
CID 561709
tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 521932
(3-chloro-2-bicyclo[2.2.1]hept-5-enyl) acetate
CID 66903254
(2R,4S,5S)-2,4-dichlorobicyclo[3.2.1]oct-6-en-3-one
CID 22489717
hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
CID 100957910
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
ethyl (1R,2R,3R,4S)-3-chlorobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 130762369
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609
(3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane
CID 87092959
(2R,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyl chloride
CID 13163688

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene (CID 23270288) is (1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene is Cl[C@H]1[C@H](Cl)[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene?
The InChIKey is ZFSMTYOLNXPHEU-XZBKPIIZSA-N. The full InChI is InChI=1S/C7H8Cl2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-7H,3H2/t4-,5+,6-,7-/m1/s1.
What are the key properties of (1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene?
(1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene has a molecular weight of 163.05 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 23270288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).