(10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione

C15H19NO2 — CID 10857743

IUPAC(10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione
SMILESO=C1C2=C(CCCC2)C(=O)N2CC[C@@H]3CC[C@H]1[C@@H]32
InChIInChI=1S/C15H19NO2/c17-14-10-3-1-2-4-11(10)15(18)16-8-7-9-5-6-12(14)13(9)16/h9,12-13H,1-8H2/t9-,12-,13+/m0/s1
InChIKeyRVLNTSKQXRSSEK-TVYUQYBPSA-N
MW245.32 g/mol
LogP2.07
Rot. Bonds

About (10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione

(10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione (PubChem CID 10857743) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione.

Molecular Properties

Compound Name(10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione
PubChem CID10857743
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione
SMILESO=C1C2=C(CCCC2)C(=O)N2CC[C@@H]3CC[C@H]1[C@@H]32
InChIInChI=1S/C15H19NO2/c17-14-10-3-1-2-4-11(10)15(18)16-8-7-9-5-6-12(14)13(9)16/h9,12-13H,1-8H2/t9-,12-,13+/m0/s1
InChIKeyRVLNTSKQXRSSEK-TVYUQYBPSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione?
The IUPAC name of (10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione (CID 10857743) is (10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione.
What is the SMILES notation for (10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione?
The canonical SMILES for (10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione is O=C1C2=C(CCCC2)C(=O)N2CC[C@@H]3CC[C@H]1[C@@H]32.
What is the InChIKey of (10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione?
The InChIKey is RVLNTSKQXRSSEK-TVYUQYBPSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14-10-3-1-2-4-11(10)15(18)16-8-7-9-5-6-12(14)13(9)16/h9,12-13H,1-8H2/t9-,12-,13+/m0/s1.
What are the key properties of (10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione?
(10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione has a molecular weight of 245.32 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,13S,16R)-1-azatetracyclo[8.5.1.03,8.013,16]hexadec-3(8)-ene-2,9-dione is sourced from PubChem (CID 10857743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).