4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one

C15H17NO — CID 20505342

IUPAC4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one
SMILESCC1CC2=C(CC3CNC4=CCCC2=C43)C1=O
InChIInChI=1S/C15H17NO/c1-8-5-11-10-3-2-4-13-14(10)9(7-16-13)6-12(11)15(8)17/h4,8-9,16H,2-3,5-7H2,1H3
InChIKeyLXOBWXYWNZPSJO-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.49
Rot. Bonds

About 4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one

4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one (PubChem CID 20505342) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one.

Molecular Properties

Compound Name4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one
PubChem CID20505342
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one
SMILESCC1CC2=C(CC3CNC4=CCCC2=C43)C1=O
InChIInChI=1S/C15H17NO/c1-8-5-11-10-3-2-4-13-14(10)9(7-16-13)6-12(11)15(8)17/h4,8-9,16H,2-3,5-7H2,1H3
InChIKeyLXOBWXYWNZPSJO-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one?
The IUPAC name of 4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one (CID 20505342) is 4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one.
What is the SMILES notation for 4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one?
The canonical SMILES for 4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one is CC1CC2=C(CC3CNC4=CCCC2=C43)C1=O.
What is the InChIKey of 4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one?
The InChIKey is LXOBWXYWNZPSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-8-5-11-10-3-2-4-13-14(10)9(7-16-13)6-12(11)15(8)17/h4,8-9,16H,2-3,5-7H2,1H3.
What are the key properties of 4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one?
4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one has a molecular weight of 227.31 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-10-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11-trien-5-one is sourced from PubChem (CID 20505342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).