[(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate

C15H19NO2 — CID 141355381

IUPAC[(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1/C=C\CCCCC1
InChIInChI=1S/C15H19NO2/c17-15(16-13-9-5-4-6-10-13)18-14-11-7-2-1-3-8-12-14/h4-7,9-11,14H,1-3,8,12H2,(H,16,17)/b11-7-
InChIKeyJKOMAATYVWUZOL-XFFZJAGNSA-N
MW245.32 g/mol
LogP4.12
Rot. Bonds2

About [(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate

[(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate (PubChem CID 141355381) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate
PubChem CID141355381
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1/C=C\CCCCC1
InChIInChI=1S/C15H19NO2/c17-15(16-13-9-5-4-6-10-13)18-14-11-7-2-1-3-8-12-14/h4-7,9-11,14H,1-3,8,12H2,(H,16,17)/b11-7-
InChIKeyJKOMAATYVWUZOL-XFFZJAGNSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate
CID 101414086
[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
CID 5381423
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
2-O-[(2Z)-cyclooct-2-en-1-yl] 1-O-methyl benzene-1,2-dicarboxylate
CID 101173390
cyclohexene;cyclohex-2-en-1-yl benzoate
CID 158500035
[(1S,4R,8R)-9-oxabicyclo[6.1.0]nonan-4-yl] N-phenylcarbamate
CID 94036960
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
[(2E)-cyclooct-2-en-1-yl] N-butylcarbamate
CID 155745211
[(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate
CID 101433203
[(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
CID 155426799
[(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate
CID 14184691
[(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate
CID 169450345

Frequently Asked Questions

What is the IUPAC name of [(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate?
The IUPAC name of [(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate (CID 141355381) is [(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate.
What is the SMILES notation for [(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate?
The canonical SMILES for [(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate is O=C(Nc1ccccc1)OC1/C=C\CCCCC1.
What is the InChIKey of [(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate?
The InChIKey is JKOMAATYVWUZOL-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(16-13-9-5-4-6-10-13)18-14-11-7-2-1-3-8-12-14/h4-7,9-11,14H,1-3,8,12H2,(H,16,17)/b11-7-.
What are the key properties of [(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate?
[(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate has a molecular weight of 245.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate is sourced from PubChem (CID 141355381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).