2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide

C17H22N2O — CID 5116040

IUPAC2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide
SMILESCC1(C)Cc2cc3c(cc2C(=CC(N)=O)N1)CCCC3
InChIInChI=1S/C17H22N2O/c1-17(2)10-13-7-11-5-3-4-6-12(11)8-14(13)15(19-17)9-16(18)20/h7-9,19H,3-6,10H2,1-2H3,(H2,18,20)
InChIKeyNDTAOBPIXXRYAQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.32
Rot. Bonds1

About 2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide

2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide (PubChem CID 5116040) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide
PubChem CID5116040
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide
SMILESCC1(C)Cc2cc3c(cc2C(=CC(N)=O)N1)CCCC3
InChIInChI=1S/C17H22N2O/c1-17(2)10-13-7-11-5-3-4-6-12(11)8-14(13)15(19-17)9-16(18)20/h7-9,19H,3-6,10H2,1-2H3,(H2,18,20)
InChIKeyNDTAOBPIXXRYAQ-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide?
The IUPAC name of 2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide (CID 5116040) is 2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide?
The canonical SMILES for 2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide is CC1(C)Cc2cc3c(cc2C(=CC(N)=O)N1)CCCC3.
What is the InChIKey of 2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide?
The InChIKey is NDTAOBPIXXRYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(2)10-13-7-11-5-3-4-6-12(11)8-14(13)15(19-17)9-16(18)20/h7-9,19H,3-6,10H2,1-2H3,(H2,18,20).
What are the key properties of 2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide?
2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide has a molecular weight of 270.38 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2,4,6,7,8,9-hexahydrobenzo[g]isoquinolin-1-ylidene)acetamide is sourced from PubChem (CID 5116040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).