15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one

C16H29NO2 — CID 78011016

IUPAC15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one
SMILESCCCC1CCCCC=CCCCC(=O)NCCO1
InChIInChI=1S/C16H29NO2/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(18)17-13-14-19-15/h3,5,15H,2,4,6-14H2,1H3,(H,17,18)
InChIKeyIPTBVTQALFUWMW-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.59
Rot. Bonds2

About 15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one

15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one (PubChem CID 78011016) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one.

Molecular Properties

Compound Name15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one
PubChem CID78011016
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one
SMILESCCCC1CCCCC=CCCCC(=O)NCCO1
InChIInChI=1S/C16H29NO2/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(18)17-13-14-19-15/h3,5,15H,2,4,6-14H2,1H3,(H,17,18)
InChIKeyIPTBVTQALFUWMW-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
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 ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(10Z)-16-propyl-1-oxacyclohexadec-10-en-2-one
CID 165161767
(10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one
CID 10945424
1-azacyclohexadec-6-en-2-one
CID 71076499
(9Z)-15-propyl-1-azacyclopentadec-9-en-5-one
CID 118346419
1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one
CID 117015418
7-propyl-1,4-oxazepane
CID 165441817
1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106003016
(7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one
CID 87224940
1-[3-(oxan-2-yl)propanoyl]-1,4-diazepan-5-one
CID 63938684
(11E)-11-[(11Z)-2-oxo-1-oxacyclotetradec-11-en-4-yl]-1-azacyclotetradec-11-en-2-one
CID 129120416
13-propyl-oxacyclotridecan-2-one
CID 54410072
3-propyl-1-oxacyclohexadec-7-en-2-one
CID 67424934

Frequently Asked Questions

What is the IUPAC name of 15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one?
The IUPAC name of 15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one (CID 78011016) is 15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one.
What is the SMILES notation for 15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one?
The canonical SMILES for 15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one is CCCC1CCCCC=CCCCC(=O)NCCO1.
What is the InChIKey of 15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one?
The InChIKey is IPTBVTQALFUWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(18)17-13-14-19-15/h3,5,15H,2,4,6-14H2,1H3,(H,17,18).
What are the key properties of 15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one?
15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one has a molecular weight of 267.41 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one is sourced from PubChem (CID 78011016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).