[(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate

C9H15IN2O2 — CID 174338322

IUPAC[(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate
SMILESNC1CC/C=C\C(OC(=O)NI)CC1
InChIInChI=1S/C9H15IN2O2/c10-12-9(13)14-8-4-2-1-3-7(11)5-6-8/h2,4,7-8H,1,3,5-6,11H2,(H,12,13)/b4-2-
InChIKeyAQMUUSWQZPEYIY-RQOWECAXSA-N
MW310.14 g/mol
LogP1.89
Rot. Bonds1

About [(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate

[(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate (PubChem CID 174338322) has the molecular formula C9H15IN2O2 and a molecular weight of 310.14 g/mol. Its IUPAC name is [(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate.

Molecular Properties

Compound Name[(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate
PubChem CID174338322
Molecular FormulaC9H15IN2O2
Molecular Weight310.14 g/mol
Exact Mass310.02
IUPAC Name[(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate
SMILESNC1CC/C=C\C(OC(=O)NI)CC1
InChIInChI=1S/C9H15IN2O2/c10-12-9(13)14-8-4-2-1-3-7(11)5-6-8/h2,4,7-8H,1,3,5-6,11H2,(H,12,13)/b4-2-
InChIKeyAQMUUSWQZPEYIY-RQOWECAXSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-6-aminocyclooct-2-en-1-yl] tert-butylsulfanylformate
CID 118458929
(6-hydroxycyclooct-2-en-1-yl) carbamate
CID 123921756
methyl (1S,4E,6S)-6-carbamoyloxycyclooct-4-ene-1-carboxylate
CID 177224563
[(2E)-6-(2-methylpropanoyl)cyclooct-2-en-1-yl] N-methylcarbamate
CID 155426557
[(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118458934
[(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate
CID 122495968
[(2E,6S)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] N-propan-2-ylcarbamate
CID 146231501
ethane;[(2E)-6-(methylamino)cyclooct-2-en-1-yl]oxymethanethioic S-acid
CID 144632126
[(2E)-6,7-dihydroxy-4-(methylcarbamoyloxy)cyclooct-2-en-1-yl] N-iodocarbamate
CID 166646354
[(2E)-6-acetylcyclooct-2-en-1-yl] hydrogen carbonate
CID 90182632
[(2Z)-6-(2-oxoethyl)cyclooct-2-en-1-yl] acetate
CID 155421415
[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate
CID 101414086

Frequently Asked Questions

What is the IUPAC name of [(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate?
The IUPAC name of [(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate (CID 174338322) is [(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate.
What is the SMILES notation for [(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate?
The canonical SMILES for [(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate is NC1CC/C=C\C(OC(=O)NI)CC1.
What is the InChIKey of [(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate?
The InChIKey is AQMUUSWQZPEYIY-RQOWECAXSA-N. The full InChI is InChI=1S/C9H15IN2O2/c10-12-9(13)14-8-4-2-1-3-7(11)5-6-8/h2,4,7-8H,1,3,5-6,11H2,(H,12,13)/b4-2-.
What are the key properties of [(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate?
[(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate has a molecular weight of 310.14 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate is sourced from PubChem (CID 174338322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).