(11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one

C17H31NO2 — CID 10945893

IUPAC(11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one
SMILESCCCC1CCCCC/C=C\CCCC(=O)OCCN1
InChIInChI=1S/C17H31NO2/c1-2-11-16-12-9-7-5-3-4-6-8-10-13-17(19)20-15-14-18-16/h4,6,16,18H,2-3,5,7-15H2,1H3/b6-4-
InChIKeyQKSPHJHVHWUIDP-XQRVVYSFSA-N
MW281.44 g/mol
LogP3.98
Rot. Bonds2

About (11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one

(11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one (PubChem CID 10945893) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one.

Molecular Properties

Compound Name(11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one
PubChem CID10945893
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one
SMILESCCCC1CCCCC/C=C\CCCC(=O)OCCN1
InChIInChI=1S/C17H31NO2/c1-2-11-16-12-9-7-5-3-4-6-8-10-13-17(19)20-15-14-18-16/h4,6,16,18H,2-3,5,7-15H2,1H3/b6-4-
InChIKeyQKSPHJHVHWUIDP-XQRVVYSFSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
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 (11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one?
The IUPAC name of (11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one (CID 10945893) is (11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one.
What is the SMILES notation for (11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one?
The canonical SMILES for (11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one is CCCC1CCCCC/C=C\CCCC(=O)OCCN1.
What is the InChIKey of (11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one?
The InChIKey is QKSPHJHVHWUIDP-XQRVVYSFSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-11-16-12-9-7-5-3-4-6-8-10-13-17(19)20-15-14-18-16/h4,6,16,18H,2-3,5,7-15H2,1H3/b6-4-.
What are the key properties of (11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one?
(11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one has a molecular weight of 281.44 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-5-propyl-1-oxa-4-azacyclohexadec-11-en-16-one is sourced from PubChem (CID 10945893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).