(1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde

C7H7ClO — CID 130993235

IUPAC(1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde
SMILESO=C[C@]1(Cl)[C@@H]2C=CC[C@@H]21
InChIInChI=1S/C7H7ClO/c8-7(4-9)5-2-1-3-6(5)7/h1-2,4-6H,3H2/t5-,6+,7+/m1/s1
InChIKeyNOCHJUGVRHBTET-VQVTYTSYSA-N
MW142.59 g/mol
LogP1.37
Rot. Bonds1

About (1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde

(1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde (PubChem CID 130993235) has the molecular formula C7H7ClO and a molecular weight of 142.59 g/mol. Its IUPAC name is (1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde.

Molecular Properties

Compound Name(1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde
PubChem CID130993235
Molecular FormulaC7H7ClO
Molecular Weight142.59 g/mol
Exact Mass142.02
IUPAC Name(1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde
SMILESO=C[C@]1(Cl)[C@@H]2C=CC[C@@H]21
InChIInChI=1S/C7H7ClO/c8-7(4-9)5-2-1-3-6(5)7/h1-2,4-6H,3H2/t5-,6+,7+/m1/s1
InChIKeyNOCHJUGVRHBTET-VQVTYTSYSA-N
XLogP1.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde?
The IUPAC name of (1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde (CID 130993235) is (1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde.
What is the SMILES notation for (1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde?
The canonical SMILES for (1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde is O=C[C@]1(Cl)[C@@H]2C=CC[C@@H]21.
What is the InChIKey of (1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde?
The InChIKey is NOCHJUGVRHBTET-VQVTYTSYSA-N. The full InChI is InChI=1S/C7H7ClO/c8-7(4-9)5-2-1-3-6(5)7/h1-2,4-6H,3H2/t5-,6+,7+/m1/s1.
What are the key properties of (1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde?
(1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde has a molecular weight of 142.59 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R)-6-chlorobicyclo[3.1.0]hex-2-ene-6-carbaldehyde is sourced from PubChem (CID 130993235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).