2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone

C19H24N2O — CID 90827226

IUPAC2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone
SMILESCC1=C(C)Cc2ccccc2C1.CCn1ccnc1C(C)=O
InChIInChI=1S/C12H14.C7H10N2O/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-3-9-5-4-8-7(9)6(2)10/h3-6H,7-8H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyWFVGVVRQAYLMJR-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.23
Rot. Bonds2

About 2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone

2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone (PubChem CID 90827226) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone
PubChem CID90827226
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone
SMILESCC1=C(C)Cc2ccccc2C1.CCn1ccnc1C(C)=O
InChIInChI=1S/C12H14.C7H10N2O/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-3-9-5-4-8-7(9)6(2)10/h3-6H,7-8H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyWFVGVVRQAYLMJR-UHFFFAOYSA-N
XLogP4.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone (CID 90827226) is 2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone is CC1=C(C)Cc2ccccc2C1.CCn1ccnc1C(C)=O.
What is the InChIKey of 2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is WFVGVVRQAYLMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C7H10N2O/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-3-9-5-4-8-7(9)6(2)10/h3-6H,7-8H2,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone?
2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 296.41 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 90827226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).