CID 176582761

C10H17INO2- — CID 176582761

IUPAC—
SMILESCC(C)(C)OC(=O)N1CC2(C[I-]C2)C1
InChIInChI=1S/C10H17INO2/c1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10/h4-7H2,1-3H3/q-1
InChIKeyKFXBZJGXTXAECJ-UHFFFAOYSA-N
MW310.16 g/mol
LogP-1.67
Rot. Bonds

About CID 176582761

CID 176582761 (PubChem CID 176582761) has the molecular formula C10H17INO2- and a molecular weight of 310.16 g/mol.

Molecular Properties

Compound NameCID 176582761
PubChem CID176582761
Molecular FormulaC10H17INO2-
Molecular Weight310.16 g/mol
Exact Mass310.03
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1CC2(C[I-]C2)C1
InChIInChI=1S/C10H17INO2/c1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10/h4-7H2,1-3H3/q-1
InChIKeyKFXBZJGXTXAECJ-UHFFFAOYSA-N
XLogP-1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 50902214
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate
CID 50986404
tert-butyl (7S)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
CID 167108536
tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
CID 170617037
tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 172586842
tert-butyl 6-formyl-2-azaspiro[3.3]heptane-2-carboxylate
CID 146470104
tert-butyl 3,3-bis(methylamino)azetidine-1-carboxylate
CID 174271991
tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
1-O-tert-butyl 3-O-methyl 3-bromoazetidine-1,3-dicarboxylate
CID 170711327

Frequently Asked Questions

What is the IUPAC name of CID 176582761?
The IUPAC name of CID 176582761 (CID 176582761) is not available.
What is the SMILES notation for CID 176582761?
The canonical SMILES for CID 176582761 is CC(C)(C)OC(=O)N1CC2(C[I-]C2)C1.
What is the InChIKey of CID 176582761?
The InChIKey is KFXBZJGXTXAECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17INO2/c1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10/h4-7H2,1-3H3/q-1.
What are the key properties of CID 176582761?
CID 176582761 has a molecular weight of 310.16 g/mol, XLogP of -1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176582761 is sourced from PubChem (CID 176582761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).