(7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione

C24H24N2O3 — CID 138497391

IUPAC(7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione
SMILESCC1C(C)[C@@H]2C3C(=O)N(/N=C/c4c(O)ccc5ccccc45)C(=O)C3C1C21CC1
InChIInChI=1S/C24H24N2O3/c1-12-13(2)21-19-18(20(12)24(21)9-10-24)22(28)26(23(19)29)25-11-16-15-6-4-3-5-14(15)7-8-17(16)27/h3-8,11-13,18-21,27H,9-10H2,1-2H3/b25-11+/t12?,13?,18?,19?,20-,21?/m1/s1
InChIKeyXBXDQPYCWQADBU-DTMOCKHTSA-N
MW388.47 g/mol
LogP3.79
Rot. Bonds2

About (7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione

(7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione (PubChem CID 138497391) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione.

Molecular Properties

Compound Name(7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione
PubChem CID138497391
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name(7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione
SMILESCC1C(C)[C@@H]2C3C(=O)N(/N=C/c4c(O)ccc5ccccc45)C(=O)C3C1C21CC1
InChIInChI=1S/C24H24N2O3/c1-12-13(2)21-19-18(20(12)24(21)9-10-24)22(28)26(23(19)29)25-11-16-15-6-4-3-5-14(15)7-8-17(16)27/h3-8,11-13,18-21,27H,9-10H2,1-2H3/b25-11+/t12?,13?,18?,19?,20-,21?/m1/s1
InChIKeyXBXDQPYCWQADBU-DTMOCKHTSA-N
XLogP3.79
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione with MolForge

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Related Compounds

4-{[(2-Hydroxy-1-naphthyl)methylene]amino}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
CID 135433171
4-[(2-Hydroxynaphthalen-1-yl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 3100455
2-{[(E)-(2-ethoxynaphthalen-1-yl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
CID 5340547
(E)-2-(((2-methoxynaphthalen-1-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
CID 5340916
4-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 5723420
2-{[(E)-(2-propoxynaphthalen-1-yl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 9587319
2-{[(E)-(4-hydroxyphenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
CID 135470782
2-{[(E)-(2-hydroxyphenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
CID 135470786
2-{[(E)-(2-hydroxynaphthalen-1-yl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
CID 135541796
2-{[(E)-(2-hydroxynaphthalen-1-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
CID 135643014
4-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 137250008
(1S,7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 141650135

Frequently Asked Questions

What is the IUPAC name of (7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione?
The IUPAC name of (7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione (CID 138497391) is (7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione.
What is the SMILES notation for (7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione?
The canonical SMILES for (7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione is CC1C(C)[C@@H]2C3C(=O)N(/N=C/c4c(O)ccc5ccccc45)C(=O)C3C1C21CC1.
What is the InChIKey of (7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione?
The InChIKey is XBXDQPYCWQADBU-DTMOCKHTSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-12-13(2)21-19-18(20(12)24(21)9-10-24)22(28)26(23(19)29)25-11-16-15-6-4-3-5-14(15)7-8-17(16)27/h3-8,11-13,18-21,27H,9-10H2,1-2H3/b25-11+/t12?,13?,18?,19?,20-,21?/m1/s1.
What are the key properties of (7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione?
(7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione has a molecular weight of 388.47 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-8,9-dimethylspiro[4-azatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione is sourced from PubChem (CID 138497391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).