(1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde

C10H11IO — CID 164674415

IUPAC(1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde
SMILESC=C1C[C@]2(C=O)C[C@H]1CC=C2I
InChIInChI=1S/C10H11IO/c1-7-4-10(6-12)5-8(7)2-3-9(10)11/h3,6,8H,1-2,4-5H2/t8-,10-/m1/s1
InChIKeyUWWQIALJXXNAKS-PSASIEDQSA-N
MW274.10 g/mol
LogP2.86
Rot. Bonds1

About (1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde

(1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde (PubChem CID 164674415) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is (1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde
PubChem CID164674415
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name(1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde
SMILESC=C1C[C@]2(C=O)C[C@H]1CC=C2I
InChIInChI=1S/C10H11IO/c1-7-4-10(6-12)5-8(7)2-3-9(10)11/h3,6,8H,1-2,4-5H2/t8-,10-/m1/s1
InChIKeyUWWQIALJXXNAKS-PSASIEDQSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde?
The IUPAC name of (1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde (CID 164674415) is (1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde.
What is the SMILES notation for (1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde?
The canonical SMILES for (1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde is C=C1C[C@]2(C=O)C[C@H]1CC=C2I.
What is the InChIKey of (1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde?
The InChIKey is UWWQIALJXXNAKS-PSASIEDQSA-N. The full InChI is InChI=1S/C10H11IO/c1-7-4-10(6-12)5-8(7)2-3-9(10)11/h3,6,8H,1-2,4-5H2/t8-,10-/m1/s1.
What are the key properties of (1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde?
(1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde has a molecular weight of 274.10 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-2-iodo-6-methylidenebicyclo[3.2.1]oct-2-ene-1-carbaldehyde is sourced from PubChem (CID 164674415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).