10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione

C12H7NO2 — CID 163303968

IUPAC10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione
SMILESO=c1[nH]c(=O)c2cccc3ccc1cc32
InChIInChI=1S/C12H7NO2/c14-11-8-5-4-7-2-1-3-9(10(7)6-8)12(15)13-11/h1-6H,(H,13,14,15)
InChIKeyMHHOIMQHDPFYCI-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.48
Rot. Bonds

About 10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione

10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione (PubChem CID 163303968) has the molecular formula C12H7NO2 and a molecular weight of 197.19 g/mol. Its IUPAC name is 10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione.

Molecular Properties

Compound Name10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione
PubChem CID163303968
Molecular FormulaC12H7NO2
Molecular Weight197.19 g/mol
Exact Mass197.05
IUPAC Name10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione
SMILESO=c1[nH]c(=O)c2cccc3ccc1cc32
InChIInChI=1S/C12H7NO2/c14-11-8-5-4-7-2-1-3-9(10(7)6-8)12(15)13-11/h1-6H,(H,13,14,15)
InChIKeyMHHOIMQHDPFYCI-UHFFFAOYSA-N
XLogP1.48
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione with MolForge

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Related Compounds

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naphtho[1,2-b]phenanthrene
CID 5889
3,24,32,53-tetrazadodecacyclo[28.28.2.04,13.07,12.014,23.015,20.026,60.033,42.036,41.043,52.044,49.055,59]hexaconta-1(59),4(13),5,7,9,11,14(23),15,17,19,21,26(60),27,29,33(42),34,36,38,40,43(52),44,46,48,50,55,57-hexacosaene-2,25,31,54-tetrone
CID 101126240
7,15-diazaoctacyclo[11.11.1.15,22.02,11.03,23.04,9.017,25.019,24]hexacosa-1(24),2(11),3(23),4,9,12,17(25),18,20,22(26)-decaene-6,8,14,16-tetrone
CID 102228647
6-methoxy-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione
CID 154365196
3-(aminomethyl)-5-methyl-2H-isoquinolin-1-one
CID 84618695
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
8,21-diazaoctacyclo[21.3.1.110,14.03,12.06,11.013,26.016,25.019,24]octacosa-1(26),2,4,6(11),10(28),12,14,16(25),17,19(24),23(27)-undecaene-7,9,20,22-tetrone
CID 56606601
3-(2-aminoethyl)-5-methyl-2H-isoquinolin-1-one
CID 84619894
ethane;3-methyl-2H-isoquinolin-1-one
CID 144810835

Frequently Asked Questions

What is the IUPAC name of 10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione?
The IUPAC name of 10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione (CID 163303968) is 10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione.
What is the SMILES notation for 10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione?
The canonical SMILES for 10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione is O=c1[nH]c(=O)c2cccc3ccc1cc32.
What is the InChIKey of 10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione?
The InChIKey is MHHOIMQHDPFYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2/c14-11-8-5-4-7-2-1-3-9(10(7)6-8)12(15)13-11/h1-6H,(H,13,14,15).
What are the key properties of 10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione?
10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione has a molecular weight of 197.19 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatricyclo[6.3.2.04,13]trideca-1(12),2,4(13),5,7-pentaene-9,11-dione is sourced from PubChem (CID 163303968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).