3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one

C19H13NO3 — CID 162407376

IUPAC3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one
SMILESO=C1C=CC2(C=C1)CC(C(=O)c1ccc3ccccc3c1)=NO2
InChIInChI=1S/C19H13NO3/c21-16-7-9-19(10-8-16)12-17(20-23-19)18(22)15-6-5-13-3-1-2-4-14(13)11-15/h1-11H,12H2
InChIKeyYWMVEGGOBUNNOO-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.23
Rot. Bonds2

About 3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one

3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one (PubChem CID 162407376) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one.

Molecular Properties

Compound Name3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one
PubChem CID162407376
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one
SMILESO=C1C=CC2(C=C1)CC(C(=O)c1ccc3ccccc3c1)=NO2
InChIInChI=1S/C19H13NO3/c21-16-7-9-19(10-8-16)12-17(20-23-19)18(22)15-6-5-13-3-1-2-4-14(13)11-15/h1-11H,12H2
InChIKeyYWMVEGGOBUNNOO-UHFFFAOYSA-N
XLogP3.23
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one
CID 162407374
1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone
CID 162261060
[(E)-1-naphthalen-2-ylethylideneamino] benzoate
CID 18602824
methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate
CID 19877524
methyl (5Z)-5-hydroxyimino-6-naphthalen-2-yl-6-oxohexanoate
CID 19877533
(1-Naphthalen-2-ylethylideneamino) benzoate
CID 53886249
Methyl 5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate
CID 53917140
3-imino-4H-anthracene-1,2-dione
CID 56621494
3-diazo-4H-anthracene-1,2-dione
CID 57165705
4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)naphthalene-1-carboxylic acid
CID 58105359
[(E)-1-phenylethylideneamino] naphthalene-2-carboxylate
CID 58226199
[(E)-(7-methyl-1-oxo-3,4-dihydrophenanthren-2-ylidene)amino] acetate
CID 58489988

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one?
The IUPAC name of 3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one (CID 162407376) is 3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one.
What is the SMILES notation for 3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one?
The canonical SMILES for 3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one is O=C1C=CC2(C=C1)CC(C(=O)c1ccc3ccccc3c1)=NO2.
What is the InChIKey of 3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one?
The InChIKey is YWMVEGGOBUNNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c21-16-7-9-19(10-8-16)12-17(20-23-19)18(22)15-6-5-13-3-1-2-4-14(13)11-15/h1-11H,12H2.
What are the key properties of 3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one?
3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one has a molecular weight of 303.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one is sourced from PubChem (CID 162407376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).