18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one

C20H23NO — CID 11185480

IUPAC18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one
SMILESCC12CCC3c4cc5cc[nH]c5cc4CCC3C1CCC2=O
InChIInChI=1S/C20H23NO/c1-20-8-6-14-15(17(20)4-5-19(20)22)3-2-12-11-18-13(7-9-21-18)10-16(12)14/h7,9-11,14-15,17,21H,2-6,8H2,1H3
InChIKeyWNXHSLFMANBJAX-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.59
Rot. Bonds

About 18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one

18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one (PubChem CID 11185480) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one.

Molecular Properties

Compound Name18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one
PubChem CID11185480
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one
SMILESCC12CCC3c4cc5cc[nH]c5cc4CCC3C1CCC2=O
InChIInChI=1S/C20H23NO/c1-20-8-6-14-15(17(20)4-5-19(20)22)3-2-12-11-18-13(7-9-21-18)10-16(12)14/h7,9-11,14-15,17,21H,2-6,8H2,1H3
InChIKeyWNXHSLFMANBJAX-UHFFFAOYSA-N
XLogP4.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one with MolForge

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Related Compounds

[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl](211At)astatine-211
CID 166025844
(8R,9S,13S,14S)-13-methyl-2,3-bis(trimethylsilyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 22809806
ethane;(14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 145187135
sodium;hydride;(8S,9R,13S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 173174187
(8R,9S,13S,14S)-3-(dideuteriomethyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 166444892
(8R,9S,13S,14S)-2-dimethylarsanyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 87793404
(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-sulfonic acid
CID 18641944
(8R,9S,13S,14R)-3-(hydroxymethyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 129437989
(8S,9R,13S,14S)-3-methoxy-2,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 124837092
(8R,9S,13S,14S)-13-methyl-3-[(S)-methylsulfinyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 130405353
(8R,9S,13S,14S)-3-[fluoro(fluoro)methoxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 172516404
(2S,5S,9S,10R)-5-methyl-17,17-dioxo-16-oxa-17λ6-thia-18-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),13,15(20)-trien-6-one
CID 127051960

Frequently Asked Questions

What is the IUPAC name of 18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one?
The IUPAC name of 18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one (CID 11185480) is 18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one.
What is the SMILES notation for 18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one?
The canonical SMILES for 18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one is CC12CCC3c4cc5cc[nH]c5cc4CCC3C1CCC2=O.
What is the InChIKey of 18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one?
The InChIKey is WNXHSLFMANBJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-20-8-6-14-15(17(20)4-5-19(20)22)3-2-12-11-18-13(7-9-21-18)10-16(12)14/h7,9-11,14-15,17,21H,2-6,8H2,1H3.
What are the key properties of 18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one?
18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one has a molecular weight of 293.41 g/mol, XLogP of 4.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one is sourced from PubChem (CID 11185480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).