4-(2-naphthalen-2-ylindol-1-yl)butan-2-one

C22H19NO — CID 11370420

IUPAC4-(2-naphthalen-2-ylindol-1-yl)butan-2-one
SMILESCC(=O)CCn1c(-c2ccc3ccccc3c2)cc2ccccc21
InChIInChI=1S/C22H19NO/c1-16(24)12-13-23-21-9-5-4-8-19(21)15-22(23)20-11-10-17-6-2-3-7-18(17)14-20/h2-11,14-15H,12-13H2,1H3
InChIKeyCFTHMCZERAHODS-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.44
Rot. Bonds4

About 4-(2-naphthalen-2-ylindol-1-yl)butan-2-one

4-(2-naphthalen-2-ylindol-1-yl)butan-2-one (PubChem CID 11370420) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(2-naphthalen-2-ylindol-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(2-naphthalen-2-ylindol-1-yl)butan-2-one
PubChem CID11370420
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name4-(2-naphthalen-2-ylindol-1-yl)butan-2-one
SMILESCC(=O)CCn1c(-c2ccc3ccccc3c2)cc2ccccc21
InChIInChI=1S/C22H19NO/c1-16(24)12-13-23-21-9-5-4-8-19(21)15-22(23)20-11-10-17-6-2-3-7-18(17)14-20/h2-11,14-15H,12-13H2,1H3
InChIKeyCFTHMCZERAHODS-UHFFFAOYSA-N
XLogP5.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-2-ylindol-1-yl)butan-2-one?
The IUPAC name of 4-(2-naphthalen-2-ylindol-1-yl)butan-2-one (CID 11370420) is 4-(2-naphthalen-2-ylindol-1-yl)butan-2-one.
What is the SMILES notation for 4-(2-naphthalen-2-ylindol-1-yl)butan-2-one?
The canonical SMILES for 4-(2-naphthalen-2-ylindol-1-yl)butan-2-one is CC(=O)CCn1c(-c2ccc3ccccc3c2)cc2ccccc21.
What is the InChIKey of 4-(2-naphthalen-2-ylindol-1-yl)butan-2-one?
The InChIKey is CFTHMCZERAHODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-16(24)12-13-23-21-9-5-4-8-19(21)15-22(23)20-11-10-17-6-2-3-7-18(17)14-20/h2-11,14-15H,12-13H2,1H3.
What are the key properties of 4-(2-naphthalen-2-ylindol-1-yl)butan-2-one?
4-(2-naphthalen-2-ylindol-1-yl)butan-2-one has a molecular weight of 313.40 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-2-ylindol-1-yl)butan-2-one is sourced from PubChem (CID 11370420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).