(5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one

C16H27NO2 — CID 6443669

IUPAC(5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one
SMILESCCC[C@@H]1C/C=C\C/C=C\CCCC(=O)OCCN1
InChIInChI=1S/C16H27NO2/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(18)19-14-13-17-15/h3,5-6,8,15,17H,2,4,7,9-14H2,1H3/b5-3-,8-6-/t15-/m1/s1
InChIKeyBXYITUWPJTZYAS-BMRLUTBMSA-N
MW265.40 g/mol
LogP3.36
Rot. Bonds2

About (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one

(5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one (PubChem CID 6443669) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one.

Molecular Properties

Compound Name(5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one
PubChem CID6443669
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one
SMILESCCC[C@@H]1C/C=C\C/C=C\CCCC(=O)OCCN1
InChIInChI=1S/C16H27NO2/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(18)19-14-13-17-15/h3,5-6,8,15,17H,2,4,7,9-14H2,1H3/b5-3-,8-6-/t15-/m1/s1
InChIKeyBXYITUWPJTZYAS-BMRLUTBMSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one with MolForge

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Related Compounds

Epilachnene
CID 6444271
[(2R)-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]propyl] hex-5-ynoate
CID 53387584
5-Propyl-1-oxa-4-azacyclohexadec-11-en-16-one
CID 10945893
(10Z)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one
CID 10999576
(10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one
CID 10945424
2-(Dec-9-en-4-ylamino)ethyl hex-5-enoate
CID 11109212
5-Ethyl-1-oxa-4-azacyclopentadec-10-en-15-one
CID 15314946
(11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid
CID 91371915
(11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid
CID 91477207
(7Z,10Z)-5-Propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one
CID 11054583
(5R,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one
CID 11402911
Methyl 2-[(prop-2-en-1-yl)amino]hex-5-enoate
CID 15356354

Frequently Asked Questions

What is the IUPAC name of (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one?
The IUPAC name of (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one (CID 6443669) is (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one.
What is the SMILES notation for (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one?
The canonical SMILES for (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one is CCC[C@@H]1C/C=C\C/C=C\CCCC(=O)OCCN1.
What is the InChIKey of (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one?
The InChIKey is BXYITUWPJTZYAS-BMRLUTBMSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(18)19-14-13-17-15/h3,5-6,8,15,17H,2,4,7,9-14H2,1H3/b5-3-,8-6-/t15-/m1/s1.
What are the key properties of (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one?
(5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one has a molecular weight of 265.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one is sourced from PubChem (CID 6443669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).