cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine

C20H29NO — CID 69370370

IUPACcyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine
SMILESCC1NC2CCCCC2=C2C=CC=CC21.O=C1CCCCC1
InChIInChI=1S/C14H19N.C6H10O/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15-10;7-6-4-2-1-3-5-6/h2-3,6-7,10-11,14-15H,4-5,8-9H2,1H3;1-5H2
InChIKeyZYZQPZPTPHMGKS-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.48
Rot. Bonds

About cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine

cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine (PubChem CID 69370370) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine.

Molecular Properties

Compound Namecyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine
PubChem CID69370370
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Namecyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine
SMILESCC1NC2CCCCC2=C2C=CC=CC21.O=C1CCCCC1
InChIInChI=1S/C14H19N.C6H10O/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15-10;7-6-4-2-1-3-5-6/h2-3,6-7,10-11,14-15H,4-5,8-9H2,1H3;1-5H2
InChIKeyZYZQPZPTPHMGKS-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine 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 cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine?
The IUPAC name of cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine (CID 69370370) is cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine.
What is the SMILES notation for cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine?
The canonical SMILES for cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine is CC1NC2CCCCC2=C2C=CC=CC21.O=C1CCCCC1.
What is the InChIKey of cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine?
The InChIKey is ZYZQPZPTPHMGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.C6H10O/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15-10;7-6-4-2-1-3-5-6/h2-3,6-7,10-11,14-15H,4-5,8-9H2,1H3;1-5H2.
What are the key properties of cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine?
cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine has a molecular weight of 299.46 g/mol, XLogP of 4.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine is sourced from PubChem (CID 69370370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).