N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide

C12H18N2O — CID 5190358

IUPACN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide
SMILESCC(=O)NN=CC1=CCC2CC1C2(C)C
InChIInChI=1S/C12H18N2O/c1-8(15)14-13-7-9-4-5-10-6-11(9)12(10,2)3/h4,7,10-11H,5-6H2,1-3H3,(H,14,15)
InChIKeySQIIAWLQJNQROA-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.10
Rot. Bonds2

About N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide

N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide (PubChem CID 5190358) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide
PubChem CID5190358
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide
SMILESCC(=O)NN=CC1=CCC2CC1C2(C)C
InChIInChI=1S/C12H18N2O/c1-8(15)14-13-7-9-4-5-10-6-11(9)12(10,2)3/h4,7,10-11H,5-6H2,1-3H3,(H,14,15)
InChIKeySQIIAWLQJNQROA-UHFFFAOYSA-N
XLogP2.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide?
The IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide (CID 5190358) is N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide?
The canonical SMILES for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide is CC(=O)NN=CC1=CCC2CC1C2(C)C.
What is the InChIKey of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide?
The InChIKey is SQIIAWLQJNQROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(15)14-13-7-9-4-5-10-6-11(9)12(10,2)3/h4,7,10-11H,5-6H2,1-3H3,(H,14,15).
What are the key properties of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide?
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide has a molecular weight of 206.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]acetamide is sourced from PubChem (CID 5190358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).