methyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate

C10H16INO2 — CID 5383566

IUPACmethyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate
SMILESCOC(=O)NC1CC/C=C\CCC1I
InChIInChI=1S/C10H16INO2/c1-14-10(13)12-9-7-5-3-2-4-6-8(9)11/h2-3,8-9H,4-7H2,1H3,(H,12,13)/b3-2-
InChIKeyPYBGGNVEOFVCKL-IHWYPQMZSA-N
MW309.15 g/mol
LogP2.64
Rot. Bonds1

About methyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate

methyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate (PubChem CID 5383566) has the molecular formula C10H16INO2 and a molecular weight of 309.15 g/mol. Its IUPAC name is methyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate
PubChem CID5383566
Molecular FormulaC10H16INO2
Molecular Weight309.15 g/mol
Exact Mass309.02
IUPAC Namemethyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate
SMILESCOC(=O)NC1CC/C=C\CCC1I
InChIInChI=1S/C10H16INO2/c1-14-10(13)12-9-7-5-3-2-4-6-8(9)11/h2-3,8-9H,4-7H2,1H3,(H,12,13)/b3-2-
InChIKeyPYBGGNVEOFVCKL-IHWYPQMZSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 methyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate?
The IUPAC name of methyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate (CID 5383566) is methyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate.
What is the SMILES notation for methyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate?
The canonical SMILES for methyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate is COC(=O)NC1CC/C=C\CCC1I.
What is the InChIKey of methyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate?
The InChIKey is PYBGGNVEOFVCKL-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H16INO2/c1-14-10(13)12-9-7-5-3-2-4-6-8(9)11/h2-3,8-9H,4-7H2,1H3,(H,12,13)/b3-2-.
What are the key properties of methyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate?
methyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate has a molecular weight of 309.15 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4Z)-8-iodocyclooct-4-en-1-yl]carbamate is sourced from PubChem (CID 5383566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).