N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide

C18H16N2O3 — CID 124536832

IUPACN-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide
SMILESO=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2)c1ccccc1
InChIInChI=1S/C18H16N2O3/c21-15(10-4-2-1-3-5-10)19-20-16(22)13-11-6-7-12(14(13)17(20)23)18(11)8-9-18/h1-7,11-14H,8-9H2,(H,19,21)/t11-,12-,13-,14-/m1/s1
InChIKeyAAIVVQDGLIMYBQ-AAVRWANBSA-N
MW308.34 g/mol
LogP1.53
Rot. Bonds2

About N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide

N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide (PubChem CID 124536832) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide
PubChem CID124536832
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide
SMILESO=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2)c1ccccc1
InChIInChI=1S/C18H16N2O3/c21-15(10-4-2-1-3-5-10)19-20-16(22)13-11-6-7-12(14(13)17(20)23)18(11)8-9-18/h1-7,11-14H,8-9H2,(H,19,21)/t11-,12-,13-,14-/m1/s1
InChIKeyAAIVVQDGLIMYBQ-AAVRWANBSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide with MolForge

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Related Compounds

4-chloro-N-[(1S,2S,6S,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide
CID 6542228
N-[(1R,2S,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]pyridine-4-carboxamide
CID 7331873
3-chloro-N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide
CID 98171075
N-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)-2-phenylacetamide
CID 2856874
N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide
CID 2842566
N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl)benzamide
CID 126741209
4-bromo-N-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)benzamide
CID 3120280
N-[(1S,2R,6R,7S)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]adamantane-1-carboxamide
CID 98119805
(1S,7R)-4-phenylspiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 11630349
3-bromo-N-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 7322958
N-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-4-methylbenzamide
CID 23306320
4-chloro-N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide
CID 1100992

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide?
The IUPAC name of N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide (CID 124536832) is N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide.
What is the SMILES notation for N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide?
The canonical SMILES for N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide is O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2)c1ccccc1.
What is the InChIKey of N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide?
The InChIKey is AAIVVQDGLIMYBQ-AAVRWANBSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-15(10-4-2-1-3-5-10)19-20-16(22)13-11-6-7-12(14(13)17(20)23)18(11)8-9-18/h1-7,11-14H,8-9H2,(H,19,21)/t11-,12-,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide?
N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzamide is sourced from PubChem (CID 124536832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).