N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide

C16H18N2O — CID 6064754

IUPACN-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N/N=C2\CC3CC=CC23)c(C)c1
InChIInChI=1S/C16H18N2O/c1-10-6-7-13(11(2)8-10)16(19)18-17-15-9-12-4-3-5-14(12)15/h3,5-8,12,14H,4,9H2,1-2H3,(H,18,19)/b17-15+
InChIKeyBVHBLKMOIIUOBU-BMRADRMJSA-N
MW254.33 g/mol
LogP2.99
Rot. Bonds2

About N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide

N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide (PubChem CID 6064754) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide
PubChem CID6064754
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N/N=C2\CC3CC=CC23)c(C)c1
InChIInChI=1S/C16H18N2O/c1-10-6-7-13(11(2)8-10)16(19)18-17-15-9-12-4-3-5-14(12)15/h3,5-8,12,14H,4,9H2,1-2H3,(H,18,19)/b17-15+
InChIKeyBVHBLKMOIIUOBU-BMRADRMJSA-N
XLogP2.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide?
The IUPAC name of N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide (CID 6064754) is N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide is Cc1ccc(C(=O)N/N=C2\CC3CC=CC23)c(C)c1.
What is the InChIKey of N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide?
The InChIKey is BVHBLKMOIIUOBU-BMRADRMJSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-6-7-13(11(2)8-10)16(19)18-17-15-9-12-4-3-5-14(12)15/h3,5-8,12,14H,4,9H2,1-2H3,(H,18,19)/b17-15+.
What are the key properties of N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide?
N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide is sourced from PubChem (CID 6064754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).