(1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one

C16H13NO3 — CID 95985316

IUPAC(1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1O[C@@H]2C[C@H]1N(C(=O)c1cccc3ccccc13)C2
InChIInChI=1S/C16H13NO3/c18-15(17-9-11-8-14(17)16(19)20-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14H,8-9H2/t11-,14-/m1/s1
InChIKeyDYTIIWKGHPHPQJ-BXUZGUMPSA-N
MW267.28 g/mol
LogP1.98
Rot. Bonds1

About (1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one

(1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one (PubChem CID 95985316) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name(1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
PubChem CID95985316
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1O[C@@H]2C[C@H]1N(C(=O)c1cccc3ccccc13)C2
InChIInChI=1S/C16H13NO3/c18-15(17-9-11-8-14(17)16(19)20-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14H,8-9H2/t11-,14-/m1/s1
InChIKeyDYTIIWKGHPHPQJ-BXUZGUMPSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 71790473
(1R,4R)-5-(2-oxochromene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 95985334
(1R,4R)-5-(3,4-difluorobenzoyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 95985306
(1S,4S)-5-(2,2-dimethylpropanoyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 70666126
(4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 90566745
(1S,4R)-5-(4-methylthiophene-2-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 98211844
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide
CID 77036206
3-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one
CID 43055458
2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284430
12-(2-methoxybenzoyl)-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
CID 162830642

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of (1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one (CID 95985316) is (1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for (1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for (1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one is O=C1O[C@@H]2C[C@H]1N(C(=O)c1cccc3ccccc13)C2.
What is the InChIKey of (1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is DYTIIWKGHPHPQJ-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H13NO3/c18-15(17-9-11-8-14(17)16(19)20-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14H,8-9H2/t11-,14-/m1/s1.
What are the key properties of (1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
(1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 267.28 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-(naphthalene-1-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 95985316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).