(1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione

C19H23N3O3 — CID 90228473

IUPAC(1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)[C@]13CCN[C@H](C2)[C@@H]1CC[C@@]1(C3)NC(=O)NC1=O
InChIInChI=1S/C19H23N3O3/c1-25-12-3-2-11-8-15-13-4-5-19(16(23)21-17(24)22-19)10-18(13,6-7-20-15)14(11)9-12/h2-3,9,13,15,20H,4-8,10H2,1H3,(H2,21,22,23,24)/t13-,15+,18-,19-/m0/s1
InChIKeyLYRFKIRHQPBZQZ-UAFONNFLSA-N
MW341.41 g/mol
LogP1.23
Rot. Bonds1

About (1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione

(1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione (PubChem CID 90228473) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
PubChem CID90228473
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)[C@]13CCN[C@H](C2)[C@@H]1CC[C@@]1(C3)NC(=O)NC1=O
InChIInChI=1S/C19H23N3O3/c1-25-12-3-2-11-8-15-13-4-5-19(16(23)21-17(24)22-19)10-18(13,6-7-20-15)14(11)9-12/h2-3,9,13,15,20H,4-8,10H2,1H3,(H2,21,22,23,24)/t13-,15+,18-,19-/m0/s1
InChIKeyLYRFKIRHQPBZQZ-UAFONNFLSA-N
XLogP1.23
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione (CID 90228473) is (1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)[C@]13CCN[C@H](C2)[C@@H]1CC[C@@]1(C3)NC(=O)NC1=O.
What is the InChIKey of (1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?
The InChIKey is LYRFKIRHQPBZQZ-UAFONNFLSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-25-12-3-2-11-8-15-13-4-5-19(16(23)21-17(24)22-19)10-18(13,6-7-20-15)14(11)9-12/h2-3,9,13,15,20H,4-8,10H2,1H3,(H2,21,22,23,24)/t13-,15+,18-,19-/m0/s1.
What are the key properties of (1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?
(1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione has a molecular weight of 341.41 g/mol, XLogP of 1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R,10R,13S)-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 90228473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).