5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one

C16H13NO — CID 123689465

IUPAC5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
SMILESCNc1ccc2ccc3ccccc3c(=O)c2c1
InChIInChI=1S/C16H13NO/c1-17-13-9-8-12-7-6-11-4-2-3-5-14(11)16(18)15(12)10-13/h2-10,17H,1H3
InChIKeyPXRBUHBJMDPGAL-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.39
Rot. Bonds1

About 5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one

5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one (PubChem CID 123689465) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one.

Molecular Properties

Compound Name5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
PubChem CID123689465
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
SMILESCNc1ccc2ccc3ccccc3c(=O)c2c1
InChIInChI=1S/C16H13NO/c1-17-13-9-8-12-7-6-11-4-2-3-5-14(11)16(18)15(12)10-13/h2-10,17H,1H3
InChIKeyPXRBUHBJMDPGAL-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 12690611
3-(methylamino)benzo[d][2]benzoxepine-5,7-dione
CID 141358200
5-(hydroxymethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 59018474
3,6-bis(methylamino)xanthen-9-one
CID 54135100
5-methyl-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
CID 23543635
N-methyl-6-methylsulfanylphenanthren-3-amine
CID 155283661
N-methyldibenzothiophen-2-amine
CID 138617905
N-(2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide
CID 53309974
5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one
CID 102134774
N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine
CID 145088499
3-(methylamino)isochromen-1-one
CID 139097561
1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine
CID 82572766

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The IUPAC name of 5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one (CID 123689465) is 5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one.
What is the SMILES notation for 5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The canonical SMILES for 5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one is CNc1ccc2ccc3ccccc3c(=O)c2c1.
What is the InChIKey of 5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The InChIKey is PXRBUHBJMDPGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-17-13-9-8-12-7-6-11-4-2-3-5-14(11)16(18)15(12)10-13/h2-10,17H,1H3.
What are the key properties of 5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one has a molecular weight of 235.29 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one is sourced from PubChem (CID 123689465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).