(1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one

C17H23NO2 — CID 25231781

IUPAC(1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one
SMILESCOc1ccc2c(c1)[C@@]1(CC(C)C)C[C@@H](C2)N(C)C1=O
InChIInChI=1S/C17H23NO2/c1-11(2)9-17-10-13(18(3)16(17)19)7-12-5-6-14(20-4)8-15(12)17/h5-6,8,11,13H,7,9-10H2,1-4H3/t13-,17-/m1/s1
InChIKeyIGBSQBLVUUOQHT-CXAGYDPISA-N
MW273.38 g/mol
LogP2.77
Rot. Bonds3

About (1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one

(1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one (PubChem CID 25231781) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one.

Molecular Properties

Compound Name(1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one
PubChem CID25231781
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one
SMILESCOc1ccc2c(c1)[C@@]1(CC(C)C)C[C@@H](C2)N(C)C1=O
InChIInChI=1S/C17H23NO2/c1-11(2)9-17-10-13(18(3)16(17)19)7-12-5-6-14(20-4)8-15(12)17/h5-6,8,11,13H,7,9-10H2,1-4H3/t13-,17-/m1/s1
InChIKeyIGBSQBLVUUOQHT-CXAGYDPISA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one with MolForge

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Related Compounds

(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 45097545
(1S,9R,13R)-1-ethyl-4-methoxy-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 71167641
(9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 163661563
(1S,9R)-4-methoxy-1-(4-methoxyphenyl)-10-methylsulfonyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 102139952
(1R,9R,10S)-4-methoxy-12,17-dimethyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 118583905
6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 114715296
3-(2-fluoro-5-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171961585
(1S,9R,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
CID 14698185
6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one
CID 86072442
2-[(1R)-10-(cyclopropylmethyl)-4-methoxy-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]acetaldehyde
CID 126581701
5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride
CID 70557198
3-bromo-5-methoxy-1,3-dimethylindol-2-one
CID 163653219

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one?
The IUPAC name of (1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one (CID 25231781) is (1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one.
What is the SMILES notation for (1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one?
The canonical SMILES for (1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one is COc1ccc2c(c1)[C@@]1(CC(C)C)C[C@@H](C2)N(C)C1=O.
What is the InChIKey of (1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one?
The InChIKey is IGBSQBLVUUOQHT-CXAGYDPISA-N. The full InChI is InChI=1S/C17H23NO2/c1-11(2)9-17-10-13(18(3)16(17)19)7-12-5-6-14(20-4)8-15(12)17/h5-6,8,11,13H,7,9-10H2,1-4H3/t13-,17-/m1/s1.
What are the key properties of (1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one?
(1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one has a molecular weight of 273.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-4-methoxy-10-methyl-1-(2-methylpropyl)-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-one is sourced from PubChem (CID 25231781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).