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

C19H23N3O3 — CID 118550269

IUPAC(1S,9R,10R,13S)-4-hydroxy-17-methylspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
SMILESCN1CC[C@]23C[C@]4(CC[C@H]2[C@H]1Cc1ccc(O)cc13)NC(=O)NC4=O
InChIInChI=1S/C19H23N3O3/c1-22-7-6-18-10-19(16(24)20-17(25)21-19)5-4-13(18)15(22)8-11-2-3-12(23)9-14(11)18/h2-3,9,13,15,23H,4-8,10H2,1H3,(H2,20,21,24,25)/t13-,15+,18-,19-/m0/s1
InChIKeyLWDBLQLWOZFYJO-UAFONNFLSA-N
MW341.41 g/mol
LogP1.27
Rot. Bonds

About (1S,9R,10R,13S)-4-hydroxy-17-methylspiro[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-hydroxy-17-methylspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione (PubChem CID 118550269) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (1S,9R,10R,13S)-4-hydroxy-17-methylspiro[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-hydroxy-17-methylspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
PubChem CID118550269
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(1S,9R,10R,13S)-4-hydroxy-17-methylspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
SMILESCN1CC[C@]23C[C@]4(CC[C@H]2[C@H]1Cc1ccc(O)cc13)NC(=O)NC4=O
InChIInChI=1S/C19H23N3O3/c1-22-7-6-18-10-19(16(24)20-17(25)21-19)5-4-13(18)15(22)8-11-2-3-12(23)9-14(11)18/h2-3,9,13,15,23H,4-8,10H2,1H3,(H2,20,21,24,25)/t13-,15+,18-,19-/m0/s1
InChIKeyLWDBLQLWOZFYJO-UAFONNFLSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

(1S,9S,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 5390113
(1R,9S,10S,13S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol
CID 162462697
(1S,9S)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 15972750
(1S,9R,10R)-17-methyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 90679801
(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
(1S,10R,11R)-16-hydroxy-21-methyl-6-(pyrrolidine-1-carbonyl)-4,21-diazapentacyclo[9.7.3.01,10.03,8.013,18]henicosa-3(8),6,13(18),14,16-pentaen-5-one
CID 134450504
(4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 54496451
1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 21436194
bis(2,2,3,3,4,4,4-heptafluorobutanoic acid);(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 87107683
(1R,9R,10R)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;phosphoric acid
CID 68667066
(1S,9R,10S)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;phosphoric acid
CID 5492722
azane;bis((1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol);bis((1R,9R,10R)-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol);dibromide;dihydrobromide
CID 157401518

Frequently Asked Questions

What is the IUPAC name of (1S,9R,10R,13S)-4-hydroxy-17-methylspiro[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-hydroxy-17-methylspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione (CID 118550269) is (1S,9R,10R,13S)-4-hydroxy-17-methylspiro[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-hydroxy-17-methylspiro[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-hydroxy-17-methylspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione is CN1CC[C@]23C[C@]4(CC[C@H]2[C@H]1Cc1ccc(O)cc13)NC(=O)NC4=O.
What is the InChIKey of (1S,9R,10R,13S)-4-hydroxy-17-methylspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?
The InChIKey is LWDBLQLWOZFYJO-UAFONNFLSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-22-7-6-18-10-19(16(24)20-17(25)21-19)5-4-13(18)15(22)8-11-2-3-12(23)9-14(11)18/h2-3,9,13,15,23H,4-8,10H2,1H3,(H2,20,21,24,25)/t13-,15+,18-,19-/m0/s1.
What are the key properties of (1S,9R,10R,13S)-4-hydroxy-17-methylspiro[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-hydroxy-17-methylspiro[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 1.27, 0 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-hydroxy-17-methylspiro[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 118550269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).