(10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one

C16H29NO2 — CID 10945424

IUPAC(10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one
SMILESCCCC1CCCC/C=C\CCCC(=O)OCCN1
InChIInChI=1S/C16H29NO2/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(18)19-14-13-17-15/h3,5,15,17H,2,4,6-14H2,1H3/b5-3-
InChIKeyQDPAWHWSRVALOP-HYXAFXHYSA-N
MW267.41 g/mol
LogP3.59
Rot. Bonds2

About (10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one

(10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one (PubChem CID 10945424) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one.

Molecular Properties

Compound Name(10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one
PubChem CID10945424
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one
SMILESCCCC1CCCC/C=C\CCCC(=O)OCCN1
InChIInChI=1S/C16H29NO2/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(18)19-14-13-17-15/h3,5,15,17H,2,4,6-14H2,1H3/b5-3-
InChIKeyQDPAWHWSRVALOP-HYXAFXHYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(9Z)-15-propyl-1-azacyclopentadec-9-en-5-one
CID 118346419
15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one
CID 78011016
(10Z)-16-propyl-1-oxacyclohexadec-10-en-2-one
CID 165161767
(6E)-1-oxacyclohexadec-6-en-2-one
CID 67592282
(6Z)-1-oxacyclotetradec-6-en-2-one
CID 102124447
(11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione
CID 10890455
tert-butyl (5S,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadec-10-ene-4-carboxylate
CID 11068590
azane;2-propylpiperidine
CID 156844924
35-methyl-1-oxacyclohexatriacont-28-en-2-one
CID 154573541
(25Z)-32-methyl-1-oxacyclotritriacont-25-en-2-one
CID 171118974
(23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one
CID 171118973
1-oxacyclohexadec-10-en-2-one
CID 72833343

Frequently Asked Questions

What is the IUPAC name of (10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one?
The IUPAC name of (10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one (CID 10945424) is (10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one.
What is the SMILES notation for (10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one?
The canonical SMILES for (10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one is CCCC1CCCC/C=C\CCCC(=O)OCCN1.
What is the InChIKey of (10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one?
The InChIKey is QDPAWHWSRVALOP-HYXAFXHYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(18)19-14-13-17-15/h3,5,15,17H,2,4,6-14H2,1H3/b5-3-.
What are the key properties of (10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one?
(10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one has a molecular weight of 267.41 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one is sourced from PubChem (CID 10945424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).