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

C16H29NO2 — CID 6444271

IUPAC(5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one
SMILESCCC[C@H]1CCCC/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-/t15-/m0/s1
InChIKeyQDPAWHWSRVALOP-QTLSWZBMSA-N
MW267.41 g/mol
LogP3.59
Rot. Bonds2

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

(5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one (PubChem CID 6444271) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one.

Molecular Properties

Compound Name(5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one
PubChem CID6444271
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one
SMILESCCC[C@H]1CCCC/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-/t15-/m0/s1
InChIKeyQDPAWHWSRVALOP-QTLSWZBMSA-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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Frequently Asked Questions

What is the IUPAC name of (5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one?
The IUPAC name of (5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one (CID 6444271) is (5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one.
What is the SMILES notation for (5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one?
The canonical SMILES for (5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one is CCC[C@H]1CCCC/C=C\CCCC(=O)OCCN1.
What is the InChIKey of (5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one?
The InChIKey is QDPAWHWSRVALOP-QTLSWZBMSA-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-/t15-/m0/s1.
What are the key properties of (5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one?
(5S,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 (5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one is sourced from PubChem (CID 6444271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).