(3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one

C15H20N2O — CID 22820428

IUPAC(3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one
SMILESCN1CC[C@H]2Cc3[nH]c4c(c3C(=O)[C@@H]2C1)CCC4
InChIInChI=1S/C15H20N2O/c1-17-6-5-9-7-13-14(15(18)11(9)8-17)10-3-2-4-12(10)16-13/h9,11,16H,2-8H2,1H3/t9-,11+/m0/s1
InChIKeyIZPHISDCIYOVRL-GXSJLCMTSA-N
MW244.34 g/mol
LogP1.81
Rot. Bonds

About (3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one

(3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one (PubChem CID 22820428) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one.

Molecular Properties

Compound Name(3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one
PubChem CID22820428
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one
SMILESCN1CC[C@H]2Cc3[nH]c4c(c3C(=O)[C@@H]2C1)CCC4
InChIInChI=1S/C15H20N2O/c1-17-6-5-9-7-13-14(15(18)11(9)8-17)10-3-2-4-12(10)16-13/h9,11,16H,2-8H2,1H3/t9-,11+/m0/s1
InChIKeyIZPHISDCIYOVRL-GXSJLCMTSA-N
XLogP1.81
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-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 (3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one?
The IUPAC name of (3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one (CID 22820428) is (3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one.
What is the SMILES notation for (3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one?
The canonical SMILES for (3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one is CN1CC[C@H]2Cc3[nH]c4c(c3C(=O)[C@@H]2C1)CCC4.
What is the InChIKey of (3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one?
The InChIKey is IZPHISDCIYOVRL-GXSJLCMTSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-6-5-9-7-13-14(15(18)11(9)8-17)10-3-2-4-12(10)16-13/h9,11,16H,2-8H2,1H3/t9-,11+/m0/s1.
What are the key properties of (3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one?
(3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one has a molecular weight of 244.34 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8S)-6-methyl-6,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),11(15)-dien-9-one is sourced from PubChem (CID 22820428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).