(4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one

C17H19NO2 — CID 933532

IUPAC(4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one
SMILESC[C@H]1CC2=C(CC[C@@H]3c4ccccc4CCN23)C(=O)O1
InChIInChI=1S/C17H19NO2/c1-11-10-16-14(17(19)20-11)6-7-15-13-5-3-2-4-12(13)8-9-18(15)16/h2-5,11,15H,6-10H2,1H3/t11-,15+/m0/s1
InChIKeyHQLGGOMFPAXSIW-XHDPSFHLSA-N
MW269.34 g/mol
LogP2.97
Rot. Bonds

About (4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one

(4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one (PubChem CID 933532) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one.

Molecular Properties

Compound Name(4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one
PubChem CID933532
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one
SMILESC[C@H]1CC2=C(CC[C@@H]3c4ccccc4CCN23)C(=O)O1
InChIInChI=1S/C17H19NO2/c1-11-10-16-14(17(19)20-11)6-7-15-13-5-3-2-4-12(13)8-9-18(15)16/h2-5,11,15H,6-10H2,1H3/t11-,15+/m0/s1
InChIKeyHQLGGOMFPAXSIW-XHDPSFHLSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one with MolForge

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Related Compounds

(1S,12S)-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6,11(15)-tetraen-14-one
CID 7091393
2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one
CID 23265389
2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 4314166
1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
CID 13144291
1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaen-2-one
CID 102593110
2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one
CID 102418176
(11bR)-1,2,5,6,7,11b-hexahydropyrrolo[2,1-a][2]benzazepin-3-one
CID 56956909
1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazolidin-2-one
CID 124578698
(1S,11R,12R,15S)-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
CID 51414254
(1S,11S,12S,15R)-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
CID 124540317
1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3702529
(3S,13E)-13-hydroxyimino-3-methyl-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one;hydrochloride
CID 52993234

Frequently Asked Questions

What is the IUPAC name of (4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one?
The IUPAC name of (4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one (CID 933532) is (4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one.
What is the SMILES notation for (4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one?
The canonical SMILES for (4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one is C[C@H]1CC2=C(CC[C@@H]3c4ccccc4CCN23)C(=O)O1.
What is the InChIKey of (4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one?
The InChIKey is HQLGGOMFPAXSIW-XHDPSFHLSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-10-16-14(17(19)20-11)6-7-15-13-5-3-2-4-12(13)8-9-18(15)16/h2-5,11,15H,6-10H2,1H3/t11-,15+/m0/s1.
What are the key properties of (4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one?
(4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one has a molecular weight of 269.34 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one is sourced from PubChem (CID 933532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).