(9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one

C16H23NO4 — CID 135014811

IUPAC(9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one
SMILESCC1(C)C2CCC1(C)[C@@H]1OC3CC4(CCOC4=O)ON3C21
InChIInChI=1S/C16H23NO4/c1-14(2)9-4-5-15(14,3)12-11(9)17-10(20-12)8-16(21-17)6-7-19-13(16)18/h9-12H,4-8H2,1-3H3/t9?,10?,11?,12-,15?,16?/m1/s1
InChIKeyGUZSJZYFYALNOT-KAMMGGMJSA-N
MW293.36 g/mol
LogP1.86
Rot. Bonds

About (9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one

(9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one (PubChem CID 135014811) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one.

Molecular Properties

Compound Name(9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one
PubChem CID135014811
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one
SMILESCC1(C)C2CCC1(C)[C@@H]1OC3CC4(CCOC4=O)ON3C21
InChIInChI=1S/C16H23NO4/c1-14(2)9-4-5-15(14,3)12-11(9)17-10(20-12)8-16(21-17)6-7-19-13(16)18/h9-12H,4-8H2,1-3H3/t9?,10?,11?,12-,15?,16?/m1/s1
InChIKeyGUZSJZYFYALNOT-KAMMGGMJSA-N
XLogP1.86
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one?
The IUPAC name of (9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one (CID 135014811) is (9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one.
What is the SMILES notation for (9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one?
The canonical SMILES for (9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one is CC1(C)C2CCC1(C)[C@@H]1OC3CC4(CCOC4=O)ON3C21.
What is the InChIKey of (9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one?
The InChIKey is GUZSJZYFYALNOT-KAMMGGMJSA-N. The full InChI is InChI=1S/C16H23NO4/c1-14(2)9-4-5-15(14,3)12-11(9)17-10(20-12)8-16(21-17)6-7-19-13(16)18/h9-12H,4-8H2,1-3H3/t9?,10?,11?,12-,15?,16?/m1/s1.
What are the key properties of (9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one?
(9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one has a molecular weight of 293.36 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-10,13,13-trimethylspiro[4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5,3'-oxolane]-2'-one is sourced from PubChem (CID 135014811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).