(9Z)-1-oxa-8-azacyclooctadec-9-en-18-one

C16H29NO2 — CID 130425088

IUPAC(9Z)-1-oxa-8-azacyclooctadec-9-en-18-one
SMILESO=C1CCCCCCC/C=C\NCCCCCCO1
InChIInChI=1S/C16H29NO2/c18-16-12-8-4-2-1-3-5-9-13-17-14-10-6-7-11-15-19-16/h9,13,17H,1-8,10-12,14-15H2/b13-9-
InChIKeyNJLALFCJJYWOHL-LCYFTJDESA-N
MW267.41 g/mol
LogP3.94
Rot. Bonds

About (9Z)-1-oxa-8-azacyclooctadec-9-en-18-one

(9Z)-1-oxa-8-azacyclooctadec-9-en-18-one (PubChem CID 130425088) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (9Z)-1-oxa-8-azacyclooctadec-9-en-18-one.

Molecular Properties

Compound Name(9Z)-1-oxa-8-azacyclooctadec-9-en-18-one
PubChem CID130425088
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(9Z)-1-oxa-8-azacyclooctadec-9-en-18-one
SMILESO=C1CCCCCCC/C=C\NCCCCCCO1
InChIInChI=1S/C16H29NO2/c18-16-12-8-4-2-1-3-5-9-13-17-14-10-6-7-11-15-19-16/h9,13,17H,1-8,10-12,14-15H2/b13-9-
InChIKeyNJLALFCJJYWOHL-LCYFTJDESA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9Z)-1-oxa-8-azacyclooctadec-9-en-18-one?
The IUPAC name of (9Z)-1-oxa-8-azacyclooctadec-9-en-18-one (CID 130425088) is (9Z)-1-oxa-8-azacyclooctadec-9-en-18-one.
What is the SMILES notation for (9Z)-1-oxa-8-azacyclooctadec-9-en-18-one?
The canonical SMILES for (9Z)-1-oxa-8-azacyclooctadec-9-en-18-one is O=C1CCCCCCC/C=C\NCCCCCCO1.
What is the InChIKey of (9Z)-1-oxa-8-azacyclooctadec-9-en-18-one?
The InChIKey is NJLALFCJJYWOHL-LCYFTJDESA-N. The full InChI is InChI=1S/C16H29NO2/c18-16-12-8-4-2-1-3-5-9-13-17-14-10-6-7-11-15-19-16/h9,13,17H,1-8,10-12,14-15H2/b13-9-.
What are the key properties of (9Z)-1-oxa-8-azacyclooctadec-9-en-18-one?
(9Z)-1-oxa-8-azacyclooctadec-9-en-18-one has a molecular weight of 267.41 g/mol, XLogP of 3.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-1-oxa-8-azacyclooctadec-9-en-18-one is sourced from PubChem (CID 130425088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).