(2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone

C25H25NO — CID 10360860

IUPAC(2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C25H25NO/c1-3-4-9-17-26-18(2)24(22-14-7-8-16-23(22)26)25(27)21-15-10-12-19-11-5-6-13-20(19)21/h5-8,10-16H,3-4,9,17H2,1-2H3
InChIKeyIBBNKINXTRKICJ-UHFFFAOYSA-N
MW355.48 g/mol
LogP6.52
Rot. Bonds6

About (2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone

(2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone (PubChem CID 10360860) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is (2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
PubChem CID10360860
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name(2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C25H25NO/c1-3-4-9-17-26-18(2)24(22-14-7-8-16-23(22)26)25(27)21-15-10-12-19-11-5-6-13-20(19)21/h5-8,10-16H,3-4,9,17H2,1-2H3
InChIKeyIBBNKINXTRKICJ-UHFFFAOYSA-N
XLogP6.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone (CID 10360860) is (2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone is CCCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of (2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
The InChIKey is IBBNKINXTRKICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-3-4-9-17-26-18(2)24(22-14-7-8-16-23(22)26)25(27)21-15-10-12-19-11-5-6-13-20(19)21/h5-8,10-16H,3-4,9,17H2,1-2H3.
What are the key properties of (2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
(2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone has a molecular weight of 355.48 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-pentylindol-3-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 10360860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).