ethane;(4-ethylphenyl)methanone;1-propylindole;vanadium

C22H28NOV- — CID 176927192

IUPACethane;(4-ethylphenyl)methanone;1-propylindole;vanadium
SMILESCC.CCCn1ccc2ccccc21.CCc1ccc([C-]=O)cc1.[V]
InChIInChI=1S/C11H13N.C9H9O.C2H6.V/c1-2-8-12-9-7-10-5-3-4-6-11(10)12;1-2-8-3-5-9(7-10)6-4-8;1-2;/h3-7,9H,2,8H2,1H3;3-6H,2H2,1H3;1-2H3;/q;-1;;
InChIKeyFAFOYKPXADIMRA-UHFFFAOYSA-N
MW373.42 g/mol
LogP5.78
Rot. Bonds4

About ethane;(4-ethylphenyl)methanone;1-propylindole;vanadium

ethane;(4-ethylphenyl)methanone;1-propylindole;vanadium (PubChem CID 176927192) has the molecular formula C22H28NOV- and a molecular weight of 373.42 g/mol. Its IUPAC name is ethane;(4-ethylphenyl)methanone;1-propylindole;vanadium.

Molecular Properties

Compound Nameethane;(4-ethylphenyl)methanone;1-propylindole;vanadium
PubChem CID176927192
Molecular FormulaC22H28NOV-
Molecular Weight373.42 g/mol
Exact Mass373.16
IUPAC Nameethane;(4-ethylphenyl)methanone;1-propylindole;vanadium
SMILESCC.CCCn1ccc2ccccc21.CCc1ccc([C-]=O)cc1.[V]
InChIInChI=1S/C11H13N.C9H9O.C2H6.V/c1-2-8-12-9-7-10-5-3-4-6-11(10)12;1-2-8-3-5-9(7-10)6-4-8;1-2;/h3-7,9H,2,8H2,1H3;3-6H,2H2,1H3;1-2H3;/q;-1;;
InChIKeyFAFOYKPXADIMRA-UHFFFAOYSA-N
XLogP5.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(3-ethylsulfonylpropyl)indole
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1-indol-1-ylheptan-4-one
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CID 80694500
2-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)acetamide
CID 5244033
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Frequently Asked Questions

What is the IUPAC name of ethane;(4-ethylphenyl)methanone;1-propylindole;vanadium?
The IUPAC name of ethane;(4-ethylphenyl)methanone;1-propylindole;vanadium (CID 176927192) is ethane;(4-ethylphenyl)methanone;1-propylindole;vanadium.
What is the SMILES notation for ethane;(4-ethylphenyl)methanone;1-propylindole;vanadium?
The canonical SMILES for ethane;(4-ethylphenyl)methanone;1-propylindole;vanadium is CC.CCCn1ccc2ccccc21.CCc1ccc([C-]=O)cc1.[V].
What is the InChIKey of ethane;(4-ethylphenyl)methanone;1-propylindole;vanadium?
The InChIKey is FAFOYKPXADIMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C9H9O.C2H6.V/c1-2-8-12-9-7-10-5-3-4-6-11(10)12;1-2-8-3-5-9(7-10)6-4-8;1-2;/h3-7,9H,2,8H2,1H3;3-6H,2H2,1H3;1-2H3;/q;-1;;.
What are the key properties of ethane;(4-ethylphenyl)methanone;1-propylindole;vanadium?
ethane;(4-ethylphenyl)methanone;1-propylindole;vanadium has a molecular weight of 373.42 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-ethylphenyl)methanone;1-propylindole;vanadium is sourced from PubChem (CID 176927192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).