(2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide

C15H20N2O — CID 5292320

IUPAC(2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide
SMILESCc1cc2c(cc1C)/C(=C\C(N)=O)NC(C)(C)C2
InChIInChI=1S/C15H20N2O/c1-9-5-11-8-15(3,4)17-13(7-14(16)18)12(11)6-10(9)2/h5-7,17H,8H2,1-4H3,(H2,16,18)/b13-7+
InChIKeyDXCOCPOTYURGHS-NTUHNPAUSA-N
MW244.34 g/mol
LogP2.05
Rot. Bonds1

About (2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide

(2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide (PubChem CID 5292320) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide
PubChem CID5292320
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide
SMILESCc1cc2c(cc1C)/C(=C\C(N)=O)NC(C)(C)C2
InChIInChI=1S/C15H20N2O/c1-9-5-11-8-15(3,4)17-13(7-14(16)18)12(11)6-10(9)2/h5-7,17H,8H2,1-4H3,(H2,16,18)/b13-7+
InChIKeyDXCOCPOTYURGHS-NTUHNPAUSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(3,3,5-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetamide
CID 1600641
1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone
CID 9549487
(2Z)-2-(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)-N-methylacetamide
CID 5599139
2-(3-Ethyl-3-methyl(2,3,4-trihydroisoquinolylidene))-1-piperidylethan-1-one, c hloride
CID 6602694
2-(3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)-N-methylacetamide
CID 5338999
(2Z)-2-(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)-N-ethylacetamide
CID 9551349
Pyrrolidine, 1-((3,4-dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)acetyl)-, monohydrochloride, (Z)-
CID 6449602
1-[2-(1-Azepanyl)-2-oxoethylidene]-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 5338983
(2Z)-2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-1-piperidin-1-ylethanone
CID 5756421
(1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone
CID 1650272
Starbld0007740
CID 5548383
(2Z)-2-(4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetamide
CID 6529742

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide?
The IUPAC name of (2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide (CID 5292320) is (2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide.
What is the SMILES notation for (2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide?
The canonical SMILES for (2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide is Cc1cc2c(cc1C)/C(=C\C(N)=O)NC(C)(C)C2.
What is the InChIKey of (2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide?
The InChIKey is DXCOCPOTYURGHS-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H20N2O/c1-9-5-11-8-15(3,4)17-13(7-14(16)18)12(11)6-10(9)2/h5-7,17H,8H2,1-4H3,(H2,16,18)/b13-7+.
What are the key properties of (2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide?
(2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide has a molecular weight of 244.34 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3,3,6,7-tetramethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide is sourced from PubChem (CID 5292320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).