naphthalen-1-yl-(1-propylindol-3-yl)methanone

C22H19NO — CID 45271208

IUPACnaphthalen-1-yl-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C22H19NO/c1-2-14-23-15-20(18-11-5-6-13-21(18)23)22(24)19-12-7-9-16-8-3-4-10-17(16)19/h3-13,15H,2,14H2,1H3
InChIKeyIVLWWVXVWRIXSS-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.44
Rot. Bonds4

About naphthalen-1-yl-(1-propylindol-3-yl)methanone

naphthalen-1-yl-(1-propylindol-3-yl)methanone (PubChem CID 45271208) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is naphthalen-1-yl-(1-propylindol-3-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(1-propylindol-3-yl)methanone
PubChem CID45271208
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Namenaphthalen-1-yl-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C22H19NO/c1-2-14-23-15-20(18-11-5-6-13-21(18)23)22(24)19-12-7-9-16-8-3-4-10-17(16)19/h3-13,15H,2,14H2,1H3
InChIKeyIVLWWVXVWRIXSS-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 naphthalen-1-yl-(1-propylindol-3-yl)methanone?
The IUPAC name of naphthalen-1-yl-(1-propylindol-3-yl)methanone (CID 45271208) is naphthalen-1-yl-(1-propylindol-3-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(1-propylindol-3-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(1-propylindol-3-yl)methanone is CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of naphthalen-1-yl-(1-propylindol-3-yl)methanone?
The InChIKey is IVLWWVXVWRIXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-2-14-23-15-20(18-11-5-6-13-21(18)23)22(24)19-12-7-9-16-8-3-4-10-17(16)19/h3-13,15H,2,14H2,1H3.
What are the key properties of naphthalen-1-yl-(1-propylindol-3-yl)methanone?
naphthalen-1-yl-(1-propylindol-3-yl)methanone 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 naphthalen-1-yl-(1-propylindol-3-yl)methanone is sourced from PubChem (CID 45271208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).