7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene

C11H11I — CID 154724452

IUPAC7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
SMILESIc1cccc2c1C1CC1CC2
InChIInChI=1S/C11H11I/c12-10-3-1-2-7-4-5-8-6-9(8)11(7)10/h1-3,8-9H,4-6H2
InChIKeyORADTRLIGBXLDB-UHFFFAOYSA-N
MW270.11 g/mol
LogP3.34
Rot. Bonds

About 7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene

7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene (PubChem CID 154724452) has the molecular formula C11H11I and a molecular weight of 270.11 g/mol. Its IUPAC name is 7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene.

Molecular Properties

Compound Name7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
PubChem CID154724452
Molecular FormulaC11H11I
Molecular Weight270.11 g/mol
Exact Mass269.99
IUPAC Name7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
SMILESIc1cccc2c1C1CC1CC2
InChIInChI=1S/C11H11I/c12-10-3-1-2-7-4-5-8-6-9(8)11(7)10/h1-3,8-9H,4-6H2
InChIKeyORADTRLIGBXLDB-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene?
The IUPAC name of 7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene (CID 154724452) is 7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene.
What is the SMILES notation for 7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene?
The canonical SMILES for 7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene is Ic1cccc2c1C1CC1CC2.
What is the InChIKey of 7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene?
The InChIKey is ORADTRLIGBXLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11I/c12-10-3-1-2-7-4-5-8-6-9(8)11(7)10/h1-3,8-9H,4-6H2.
What are the key properties of 7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene?
7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene has a molecular weight of 270.11 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene is sourced from PubChem (CID 154724452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).