(5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one

C20H22N2O — CID 70646915

IUPAC(5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one
SMILESCc1ccc2c(c1)CCc1cc(C)ccc1C21C[C@H](N)NC1=O
InChIInChI=1S/C20H22N2O/c1-12-3-7-16-14(9-12)5-6-15-10-13(2)4-8-17(15)20(16)11-18(21)22-19(20)23/h3-4,7-10,18H,5-6,11,21H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyJWQXJQYTDHOLFC-GOSISDBHSA-N
MW306.41 g/mol
LogP2.49
Rot. Bonds

About (5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one

(5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one (PubChem CID 70646915) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one.

Molecular Properties

Compound Name(5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one
PubChem CID70646915
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one
SMILESCc1ccc2c(c1)CCc1cc(C)ccc1C21C[C@H](N)NC1=O
InChIInChI=1S/C20H22N2O/c1-12-3-7-16-14(9-12)5-6-15-10-13(2)4-8-17(15)20(16)11-18(21)22-19(20)23/h3-4,7-10,18H,5-6,11,21H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyJWQXJQYTDHOLFC-GOSISDBHSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one?
The IUPAC name of (5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one (CID 70646915) is (5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one.
What is the SMILES notation for (5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one?
The canonical SMILES for (5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one is Cc1ccc2c(c1)CCc1cc(C)ccc1C21C[C@H](N)NC1=O.
What is the InChIKey of (5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one?
The InChIKey is JWQXJQYTDHOLFC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O/c1-12-3-7-16-14(9-12)5-6-15-10-13(2)4-8-17(15)20(16)11-18(21)22-19(20)23/h3-4,7-10,18H,5-6,11,21H2,1-2H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one?
(5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one has a molecular weight of 306.41 g/mol, XLogP of 2.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one is sourced from PubChem (CID 70646915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).