3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one

C20H20N2O3 — CID 50963763

IUPAC3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCCC2(C=Cc3ccccc3O2)CC1
InChIInChI=1S/C20H20N2O3/c23-18-16(6-3-12-21-18)19(24)22-13-4-9-20(11-14-22)10-8-15-5-1-2-7-17(15)25-20/h1-3,5-8,10,12H,4,9,11,13-14H2,(H,21,23)
InChIKeyFFUABAZRGDVCCE-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.85
Rot. Bonds1

About 3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one

3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one (PubChem CID 50963763) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one
PubChem CID50963763
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCCC2(C=Cc3ccccc3O2)CC1
InChIInChI=1S/C20H20N2O3/c23-18-16(6-3-12-21-18)19(24)22-13-4-9-20(11-14-22)10-8-15-5-1-2-7-17(15)25-20/h1-3,5-8,10,12H,4,9,11,13-14H2,(H,21,23)
InChIKeyFFUABAZRGDVCCE-UHFFFAOYSA-N
XLogP2.85
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one (CID 50963763) is 3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCCC2(C=Cc3ccccc3O2)CC1.
What is the InChIKey of 3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is FFUABAZRGDVCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18-16(6-3-12-21-18)19(24)22-13-4-9-20(11-14-22)10-8-15-5-1-2-7-17(15)25-20/h1-3,5-8,10,12H,4,9,11,13-14H2,(H,21,23).
What are the key properties of 3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one?
3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 336.39 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(spiro[azepane-4,2'-chromene]-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 50963763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).