4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione

C23H20N2O3 — CID 5340916

IUPAC4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
SMILESCOc1ccc2ccccc2c1/C=N/N1C(=O)C2C(C1=O)C1C=CC2C12CC2
InChIInChI=1S/C23H20N2O3/c1-28-18-9-6-13-4-2-3-5-14(13)15(18)12-24-25-21(26)19-16-7-8-17(20(19)22(25)27)23(16)10-11-23/h2-9,12,16-17,19-20H,10-11H2,1H3/b24-12+
InChIKeyRYZDYIKCAYCJEZ-WYMPLXKRSA-N
MW372.42 g/mol
LogP3.38
Rot. Bonds3

About 4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione

4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione (PubChem CID 5340916) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione.

Molecular Properties

Compound Name4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
PubChem CID5340916
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
SMILESCOc1ccc2ccccc2c1/C=N/N1C(=O)C2C(C1=O)C1C=CC2C12CC2
InChIInChI=1S/C23H20N2O3/c1-28-18-9-6-13-4-2-3-5-14(13)15(18)12-24-25-21(26)19-16-7-8-17(20(19)22(25)27)23(16)10-11-23/h2-9,12,16-17,19-20H,10-11H2,1H3/b24-12+
InChIKeyRYZDYIKCAYCJEZ-WYMPLXKRSA-N
XLogP3.38
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione?
The IUPAC name of 4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione (CID 5340916) is 4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione.
What is the SMILES notation for 4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione?
The canonical SMILES for 4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione is COc1ccc2ccccc2c1/C=N/N1C(=O)C2C(C1=O)C1C=CC2C12CC2.
What is the InChIKey of 4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione?
The InChIKey is RYZDYIKCAYCJEZ-WYMPLXKRSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-28-18-9-6-13-4-2-3-5-14(13)15(18)12-24-25-21(26)19-16-7-8-17(20(19)22(25)27)23(16)10-11-23/h2-9,12,16-17,19-20H,10-11H2,1H3/b24-12+.
What are the key properties of 4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione?
4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione has a molecular weight of 372.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione is sourced from PubChem (CID 5340916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).