8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine

C12H14INO2 — CID 23393824

IUPAC8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine
SMILESNc1ccc2c(c1)C(I)CC1(C2)OCCO1
InChIInChI=1S/C12H14INO2/c13-11-7-12(15-3-4-16-12)6-8-1-2-9(14)5-10(8)11/h1-2,5,11H,3-4,6-7,14H2
InChIKeyVFTNVJUGQOPYFT-UHFFFAOYSA-N
MW331.15 g/mol
LogP2.43
Rot. Bonds

About 8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine

8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine (PubChem CID 23393824) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is 8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine.

Molecular Properties

Compound Name8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine
PubChem CID23393824
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine
SMILESNc1ccc2c(c1)C(I)CC1(C2)OCCO1
InChIInChI=1S/C12H14INO2/c13-11-7-12(15-3-4-16-12)6-8-1-2-9(14)5-10(8)11/h1-2,5,11H,3-4,6-7,14H2
InChIKeyVFTNVJUGQOPYFT-UHFFFAOYSA-N
XLogP2.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine?
The IUPAC name of 8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine (CID 23393824) is 8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine.
What is the SMILES notation for 8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine?
The canonical SMILES for 8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine is Nc1ccc2c(c1)C(I)CC1(C2)OCCO1.
What is the InChIKey of 8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine?
The InChIKey is VFTNVJUGQOPYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c13-11-7-12(15-3-4-16-12)6-8-1-2-9(14)5-10(8)11/h1-2,5,11H,3-4,6-7,14H2.
What are the key properties of 8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine?
8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine has a molecular weight of 331.15 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-iodospiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine is sourced from PubChem (CID 23393824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).