[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate

C15H19NO2 — CID 5381423

IUPAC[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1C/C=C\CCCC1
InChIInChI=1S/C15H19NO2/c17-15(16-13-9-5-4-6-10-13)18-14-11-7-2-1-3-8-12-14/h2,4-7,9-10,14H,1,3,8,11-12H2,(H,16,17)/b7-2-
InChIKeyBUMNXLQIAHTLSM-UQCOIBPSSA-N
MW245.32 g/mol
LogP4.12
Rot. Bonds2

About [(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate

[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate (PubChem CID 5381423) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
PubChem CID5381423
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1C/C=C\CCCC1
InChIInChI=1S/C15H19NO2/c17-15(16-13-9-5-4-6-10-13)18-14-11-7-2-1-3-8-12-14/h2,4-7,9-10,14H,1,3,8,11-12H2,(H,16,17)/b7-2-
InChIKeyBUMNXLQIAHTLSM-UQCOIBPSSA-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,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
[(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate
CID 141355381
[(1S,4R,8R)-9-oxabicyclo[6.1.0]nonan-4-yl] N-phenylcarbamate
CID 94036960
[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate
CID 101414086
[(3E)-cyclooct-3-en-1-yl] N-methylcarbamate
CID 153422557
[(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate
CID 101433203
(4-oxocyclohexyl) N-phenylcarbamate
CID 5238930
oxetan-3-yl N-phenylcarbamate
CID 54313632
cyclobutyl N-(4-aminophenyl)carbamate
CID 62139706
(3,5-dimethylcyclohexyl) N-phenylcarbamate
CID 58534443
[(1R,3S)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985839
[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985836

Frequently Asked Questions

What is the IUPAC name of [(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate?
The IUPAC name of [(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate (CID 5381423) is [(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate.
What is the SMILES notation for [(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate?
The canonical SMILES for [(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate is O=C(Nc1ccccc1)OC1C/C=C\CCCC1.
What is the InChIKey of [(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate?
The InChIKey is BUMNXLQIAHTLSM-UQCOIBPSSA-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/h2,4-7,9-10,14H,1,3,8,11-12H2,(H,16,17)/b7-2-.
What are the key properties of [(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate?
[(3Z)-cyclooct-3-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 [(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate is sourced from PubChem (CID 5381423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).