(8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione

C19H29NO3 — CID 142177257

IUPAC(8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione
SMILESCC1=C/CCNC(=O)CC(O)C2(C)C(=O)C(C)C2C(C)C\C=C\1
InChIInChI=1S/C19H29NO3/c1-12-7-5-9-13(2)17-14(3)18(23)19(17,4)15(21)11-16(22)20-10-6-8-12/h5,7-8,13-15,17,21H,6,9-11H2,1-4H3,(H,20,22)/b7-5+,12-8-
InChIKeyFCEYZBVZHIIKMM-VRGHMPIDSA-N
MW319.45 g/mol
LogP2.63
Rot. Bonds

About (8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione

(8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione (PubChem CID 142177257) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is (8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione.

Molecular Properties

Compound Name(8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione
PubChem CID142177257
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name(8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione
SMILESCC1=C/CCNC(=O)CC(O)C2(C)C(=O)C(C)C2C(C)C\C=C\1
InChIInChI=1S/C19H29NO3/c1-12-7-5-9-13(2)17-14(3)18(23)19(17,4)15(21)11-16(22)20-10-6-8-12/h5,7-8,13-15,17,21H,6,9-11H2,1-4H3,(H,20,22)/b7-5+,12-8-
InChIKeyFCEYZBVZHIIKMM-VRGHMPIDSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione with MolForge

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Related Compounds

7-Hydroxy-8,8,10,12,16-pentamethyl-4-azatricyclo[14.2.0.01,17]octadec-17-ene-5,9-dione
CID 123363413
3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one
CID 135161721
(4S,7R,8S,9S,11E,13Z)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
CID 142177233
(4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione
CID 142095362
(11E,13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
CID 142177217
(4S,9S,11E,13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
CID 142177224
(4S,11E,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
CID 142177252
(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
CID 142177270
(13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione
CID 142247799
(13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione
CID 142247820
(13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione
CID 142247839
(8S,13Z,15S)-4,8-dihydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione
CID 142247887

Frequently Asked Questions

What is the IUPAC name of (8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione?
The IUPAC name of (8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione (CID 142177257) is (8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione.
What is the SMILES notation for (8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione?
The canonical SMILES for (8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione is CC1=C/CCNC(=O)CC(O)C2(C)C(=O)C(C)C2C(C)C\C=C\1.
What is the InChIKey of (8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione?
The InChIKey is FCEYZBVZHIIKMM-VRGHMPIDSA-N. The full InChI is InChI=1S/C19H29NO3/c1-12-7-5-9-13(2)17-14(3)18(23)19(17,4)15(21)11-16(22)20-10-6-8-12/h5,7-8,13-15,17,21H,6,9-11H2,1-4H3,(H,20,22)/b7-5+,12-8-.
What are the key properties of (8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione?
(8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione has a molecular weight of 319.45 g/mol, XLogP of 2.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,10E)-2-hydroxy-1,9,13,15-tetramethyl-5-azabicyclo[12.2.0]hexadeca-8,10-diene-4,16-dione is sourced from PubChem (CID 142177257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).