[(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate

C15H20N2O2 — CID 140718731

IUPAC[(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate
SMILESNC(=O)OC1(c2ccccc2)CC/C=C\CCC1N
InChIInChI=1S/C15H20N2O2/c16-13-10-6-1-2-7-11-15(13,19-14(17)18)12-8-4-3-5-9-12/h1-5,8-9,13H,6-7,10-11,16H2,(H2,17,18)/b2-1-
InChIKeyXEAZPCZREVQDEP-UPHRSURJSA-N
MW260.34 g/mol
LogP2.43
Rot. Bonds2

About [(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate

[(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate (PubChem CID 140718731) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate.

Molecular Properties

Compound Name[(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate
PubChem CID140718731
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate
SMILESNC(=O)OC1(c2ccccc2)CC/C=C\CCC1N
InChIInChI=1S/C15H20N2O2/c16-13-10-6-1-2-7-11-15(13,19-14(17)18)12-8-4-3-5-9-12/h1-5,8-9,13H,6-7,10-11,16H2,(H2,17,18)/b2-1-
InChIKeyXEAZPCZREVQDEP-UPHRSURJSA-N
XLogP2.43
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate?
The IUPAC name of [(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate (CID 140718731) is [(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate.
What is the SMILES notation for [(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate?
The canonical SMILES for [(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate is NC(=O)OC1(c2ccccc2)CC/C=C\CCC1N.
What is the InChIKey of [(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate?
The InChIKey is XEAZPCZREVQDEP-UPHRSURJSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13-10-6-1-2-7-11-15(13,19-14(17)18)12-8-4-3-5-9-12/h1-5,8-9,13H,6-7,10-11,16H2,(H2,17,18)/b2-1-.
What are the key properties of [(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate?
[(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate has a molecular weight of 260.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-8-amino-1-phenylcyclooct-4-en-1-yl] carbamate is sourced from PubChem (CID 140718731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).