1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one

C14H13NO — CID 162346580

IUPAC1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one
SMILESO=c1cccccccccccccn1
InChIInChI=1S/C14H13NO/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-14/h1-13H/b3-1-,4-2-,7-5-,8-6-,11-9-,12-10-,15-13-
InChIKeyLELHTCRMJNSKJV-BOUOEVLMSA-N
MW211.26 g/mol
LogP2.69
Rot. Bonds

About 1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one

1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one (PubChem CID 162346580) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one.

Molecular Properties

Compound Name1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one
PubChem CID162346580
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one
SMILESO=c1cccccccccccccn1
InChIInChI=1S/C14H13NO/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-14/h1-13H/b3-1-,4-2-,7-5-,8-6-,11-9-,12-10-,15-13-
InChIKeyLELHTCRMJNSKJV-BOUOEVLMSA-N
XLogP2.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-Pyrrol-2-one
CID 14246795
Azepinone
CID 17856120
Azoninone
CID 23322754
Azonin-2-one
CID 74031286
3-Methylazepin-2-one
CID 90904257
Azepin-2-one hydrobromide
CID 129655840
Hydro-2h-azonin-2-one hydrochloride
CID 129655914
Bis(azepin-2-one);hydrochloride
CID 17856119
Azane;azepin-2-one
CID 18360059
Pyrrol-2-one;hydrochloride
CID 57461391
Ethane;pyrrol-2-one
CID 123225157
N-[(2E)-penta-2,4-dienylidene]acetamide
CID 123313739

Frequently Asked Questions

What is the IUPAC name of 1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one?
The IUPAC name of 1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one (CID 162346580) is 1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one.
What is the SMILES notation for 1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one?
The canonical SMILES for 1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one is O=c1cccccccccccccn1.
What is the InChIKey of 1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one?
The InChIKey is LELHTCRMJNSKJV-BOUOEVLMSA-N. The full InChI is InChI=1S/C14H13NO/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-14/h1-13H/b3-1-,4-2-,7-5-,8-6-,11-9-,12-10-,15-13-.
What are the key properties of 1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one?
1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one has a molecular weight of 211.26 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azacyclopentadeca-3,5,7,9,11,13,15-heptaen-2-one is sourced from PubChem (CID 162346580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).