(3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one

C15H19NO2 — CID 24977882

IUPAC(3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one
SMILESO=C1/C=C\N(c2ccccc2)CCCCCCO1
InChIInChI=1S/C15H19NO2/c17-15-10-12-16(14-8-4-3-5-9-14)11-6-1-2-7-13-18-15/h3-5,8-10,12H,1-2,6-7,11,13H2/b12-10-
InChIKeyYOEHJDRXWIAWLF-BENRWUELSA-N
MW245.32 g/mol
LogP3.12
Rot. Bonds1

About (3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one

(3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one (PubChem CID 24977882) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one.

Molecular Properties

Compound Name(3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one
PubChem CID24977882
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one
SMILESO=C1/C=C\N(c2ccccc2)CCCCCCO1
InChIInChI=1S/C15H19NO2/c17-15-10-12-16(14-8-4-3-5-9-14)11-6-1-2-7-13-18-15/h3-5,8-10,12H,1-2,6-7,11,13H2/b12-10-
InChIKeyYOEHJDRXWIAWLF-BENRWUELSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one?
The IUPAC name of (3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one (CID 24977882) is (3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one.
What is the SMILES notation for (3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one?
The canonical SMILES for (3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one is O=C1/C=C\N(c2ccccc2)CCCCCCO1.
What is the InChIKey of (3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one?
The InChIKey is YOEHJDRXWIAWLF-BENRWUELSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15-10-12-16(14-8-4-3-5-9-14)11-6-1-2-7-13-18-15/h3-5,8-10,12H,1-2,6-7,11,13H2/b12-10-.
What are the key properties of (3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one?
(3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one has a molecular weight of 245.32 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-phenyl-1-oxa-5-azacycloundec-3-en-2-one is sourced from PubChem (CID 24977882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).