(1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione

C16H16N2O2 — CID 101383602

IUPAC(1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione
SMILESCN1C(=O)[C@H]2[C@H]3c4ccccc4C=C[C@H]3[C@H]2N(C)C1=O
InChIInChI=1S/C16H16N2O2/c1-17-14-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15(19)18(2)16(17)20/h3-8,11-14H,1-2H3/t11-,12+,13+,14-/m1/s1
InChIKeyKCJRJGRDJMGQNE-ZOBORPQBSA-N
MW268.32 g/mol
LogP1.94
Rot. Bonds

About (1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione

(1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione (PubChem CID 101383602) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione.

Molecular Properties

Compound Name(1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione
PubChem CID101383602
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione
SMILESCN1C(=O)[C@H]2[C@H]3c4ccccc4C=C[C@H]3[C@H]2N(C)C1=O
InChIInChI=1S/C16H16N2O2/c1-17-14-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15(19)18(2)16(17)20/h3-8,11-14H,1-2H3/t11-,12+,13+,14-/m1/s1
InChIKeyKCJRJGRDJMGQNE-ZOBORPQBSA-N
XLogP1.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione with MolForge

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Related Compounds

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1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
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(1S,1aS,7bS)-1-isocyanato-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
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1-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalene
CID 153422179
CID 101470723
CID 101470723
17-methyl-1-nitro-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 134472171
tri(propan-2-yl)silyl (1R,1aS,7bR)-1a,7b-dihydro-1H-cyclopropa[a]naphthalene-1-carboxylate
CID 102311015
1,3-dimethyl-5-phenoxyimidazolidine-2,4-dione
CID 143609407
(2R,6S)-4-methyl-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 101119628
1-prop-1-en-2-yl-1H-indene
CID 12058678
1-chloro-1H-indene;titanium;dihydrochloride
CID 174637282

Frequently Asked Questions

What is the IUPAC name of (1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The IUPAC name of (1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione (CID 101383602) is (1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione.
What is the SMILES notation for (1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The canonical SMILES for (1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione is CN1C(=O)[C@H]2[C@H]3c4ccccc4C=C[C@H]3[C@H]2N(C)C1=O.
What is the InChIKey of (1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The InChIKey is KCJRJGRDJMGQNE-ZOBORPQBSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17-14-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15(19)18(2)16(17)20/h3-8,11-14H,1-2H3/t11-,12+,13+,14-/m1/s1.
What are the key properties of (1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
(1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione has a molecular weight of 268.32 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R,11R,16S)-12,14-dimethyl-12,14-diazatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-13,15-dione is sourced from PubChem (CID 101383602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).