2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one

C17H23NO — CID 58318198

IUPAC2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one
SMILESCc1ccc2c(c1)CCN(CC1CCCCC1)C2=O
InChIInChI=1S/C17H23NO/c1-13-7-8-16-15(11-13)9-10-18(17(16)19)12-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3
InChIKeyUQQVYCXDYSGKLE-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.57
Rot. Bonds2

About 2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one

2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 58318198) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID58318198
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one
SMILESCc1ccc2c(c1)CCN(CC1CCCCC1)C2=O
InChIInChI=1S/C17H23NO/c1-13-7-8-16-15(11-13)9-10-18(17(16)19)12-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3
InChIKeyUQQVYCXDYSGKLE-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one (CID 58318198) is 2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one is Cc1ccc2c(c1)CCN(CC1CCCCC1)C2=O.
What is the InChIKey of 2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is UQQVYCXDYSGKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13-7-8-16-15(11-13)9-10-18(17(16)19)12-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one?
2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 257.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 58318198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).