3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one

C19H17NO — CID 71812112

IUPAC3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one
SMILESCc1[nH]c(-c2cccc3ccccc23)c2c1C(=O)CCC2
InChIInChI=1S/C19H17NO/c1-12-18-16(10-5-11-17(18)21)19(20-12)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,20H,5,10-11H2,1H3
InChIKeyWDQNILVOGXOEAK-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.66
Rot. Bonds1

About 3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one

3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one (PubChem CID 71812112) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one.

Molecular Properties

Compound Name3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one
PubChem CID71812112
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one
SMILESCc1[nH]c(-c2cccc3ccccc23)c2c1C(=O)CCC2
InChIInChI=1S/C19H17NO/c1-12-18-16(10-5-11-17(18)21)19(20-12)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,20H,5,10-11H2,1H3
InChIKeyWDQNILVOGXOEAK-UHFFFAOYSA-N
XLogP4.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one?
The IUPAC name of 3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one (CID 71812112) is 3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one.
What is the SMILES notation for 3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one?
The canonical SMILES for 3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one is Cc1[nH]c(-c2cccc3ccccc23)c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one?
The InChIKey is WDQNILVOGXOEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-12-18-16(10-5-11-17(18)21)19(20-12)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,20H,5,10-11H2,1H3.
What are the key properties of 3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one?
3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one has a molecular weight of 275.35 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-naphthalen-1-yl-2,5,6,7-tetrahydroisoindol-4-one is sourced from PubChem (CID 71812112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).