naphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone

C24H21NO — CID 91936930

IUPACnaphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone
SMILESC=CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H21NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h2,4-7,9-15,17H,1,3,8,16H2
InChIKeyIVVCMEGHVSDGFJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.99
Rot. Bonds6

About naphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone

naphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone (PubChem CID 91936930) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is naphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone
PubChem CID91936930
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Namenaphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone
SMILESC=CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H21NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h2,4-7,9-15,17H,1,3,8,16H2
InChIKeyIVVCMEGHVSDGFJ-UHFFFAOYSA-N
XLogP5.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh 122
CID 44466638
Jwh-200
CID 10045570
Xlr 11
CID 57501498
Jwh 015
CID 4273754
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-694
CID 9889172
Jwh 307
CID 16049783
Jwh 203
CID 44397500

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone?
The IUPAC name of naphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone (CID 91936930) is naphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone is C=CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of naphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone?
The InChIKey is IVVCMEGHVSDGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h2,4-7,9-15,17H,1,3,8,16H2.
What are the key properties of naphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone?
naphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(1-pent-4-enylindol-3-yl)methanone is sourced from PubChem (CID 91936930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).