(9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one

C16H29NO2 — CID 71108718

IUPAC(9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one
SMILESCCCC1CCCC/C=C\CCCC(=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)/b5-3-
InChIKeyIPTBVTQALFUWMW-HYXAFXHYSA-N
MW267.41 g/mol
LogP3.59
Rot. Bonds2

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

(9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one (PubChem CID 71108718) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one.

Molecular Properties

Compound Name(9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one
PubChem CID71108718
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one
SMILESCCCC1CCCC/C=C\CCCC(=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)/b5-3-
InChIKeyIPTBVTQALFUWMW-HYXAFXHYSA-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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Frequently Asked Questions

What is the IUPAC name of (9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one?
The IUPAC name of (9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one (CID 71108718) is (9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one.
What is the SMILES notation for (9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one?
The canonical SMILES for (9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one is CCCC1CCCC/C=C\CCCC(=O)NCCO1.
What is the InChIKey of (9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one?
The InChIKey is IPTBVTQALFUWMW-HYXAFXHYSA-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)/b5-3-.
What are the key properties of (9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one?
(9Z)-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 (9Z)-15-propyl-1-oxa-4-azacyclopentadec-9-en-5-one is sourced from PubChem (CID 71108718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).