(2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one

C11H15NO3 — CID 24982146

IUPAC(2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one
SMILESO=C1[C@H]2CC3CCC2(O3)[C@@H]2OCCCN12
InChIInChI=1S/C11H15NO3/c13-9-8-6-7-2-3-11(8,15-7)10-12(9)4-1-5-14-10/h7-8,10H,1-6H2/t7?,8-,10+,11?/m1/s1
InChIKeyQIZJFSJXVDBGGC-KOTSIHIOSA-N
MW209.24 g/mol
LogP0.51
Rot. Bonds

About (2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one

(2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one (PubChem CID 24982146) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one.

Molecular Properties

Compound Name(2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one
PubChem CID24982146
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one
SMILESO=C1[C@H]2CC3CCC2(O3)[C@@H]2OCCCN12
InChIInChI=1S/C11H15NO3/c13-9-8-6-7-2-3-11(8,15-7)10-12(9)4-1-5-14-10/h7-8,10H,1-6H2/t7?,8-,10+,11?/m1/s1
InChIKeyQIZJFSJXVDBGGC-KOTSIHIOSA-N
XLogP0.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one?
The IUPAC name of (2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one (CID 24982146) is (2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one.
What is the SMILES notation for (2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one?
The canonical SMILES for (2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one is O=C1[C@H]2CC3CCC2(O3)[C@@H]2OCCCN12.
What is the InChIKey of (2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one?
The InChIKey is QIZJFSJXVDBGGC-KOTSIHIOSA-N. The full InChI is InChI=1S/C11H15NO3/c13-9-8-6-7-2-3-11(8,15-7)10-12(9)4-1-5-14-10/h7-8,10H,1-6H2/t7?,8-,10+,11?/m1/s1.
What are the key properties of (2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one?
(2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one has a molecular weight of 209.24 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one is sourced from PubChem (CID 24982146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).