ethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane

C22H33NO — CID 143666521

IUPACethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane
SMILESCC.CC.CCC.Cn1c2c(c3ccccc3c1=O)=CCC=CC=2
InChIInChI=1S/C15H13NO.C3H8.2C2H6/c1-16-14-10-4-2-3-8-12(14)11-7-5-6-9-13(11)15(16)17;1-3-2;2*1-2/h2,4-10H,3H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyWIKZRJWPASPEQQ-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.53
Rot. Bonds

About ethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane

ethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane (PubChem CID 143666521) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is ethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane.

Molecular Properties

Compound Nameethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane
PubChem CID143666521
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Nameethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane
SMILESCC.CC.CCC.Cn1c2c(c3ccccc3c1=O)=CCC=CC=2
InChIInChI=1S/C15H13NO.C3H8.2C2H6/c1-16-14-10-4-2-3-8-12(14)11-7-5-6-9-13(11)15(16)17;1-3-2;2*1-2/h2,4-10H,3H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyWIKZRJWPASPEQQ-UHFFFAOYSA-N
XLogP4.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane?
The IUPAC name of ethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane (CID 143666521) is ethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane.
What is the SMILES notation for ethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane?
The canonical SMILES for ethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane is CC.CC.CCC.Cn1c2c(c3ccccc3c1=O)=CCC=CC=2.
What is the InChIKey of ethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane?
The InChIKey is WIKZRJWPASPEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO.C3H8.2C2H6/c1-16-14-10-4-2-3-8-12(14)11-7-5-6-9-13(11)15(16)17;1-3-2;2*1-2/h2,4-10H,3H2,1H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane?
ethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane has a molecular weight of 327.51 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane is sourced from PubChem (CID 143666521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).