N-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide

C12H18N2O — CID 123594289

IUPACN-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide
SMILESC=CC(=C)CCC(=O)NC1C(C)=NC1C
InChIInChI=1S/C12H18N2O/c1-5-8(2)6-7-11(15)14-12-9(3)13-10(12)4/h5,9,12H,1-2,6-7H2,3-4H3,(H,14,15)
InChIKeyRWIAWMLJSVNYKV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.86
Rot. Bonds5

About N-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide

N-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide (PubChem CID 123594289) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide
PubChem CID123594289
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide
SMILESC=CC(=C)CCC(=O)NC1C(C)=NC1C
InChIInChI=1S/C12H18N2O/c1-5-8(2)6-7-11(15)14-12-9(3)13-10(12)4/h5,9,12H,1-2,6-7H2,3-4H3,(H,14,15)
InChIKeyRWIAWMLJSVNYKV-UHFFFAOYSA-N
XLogP1.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide
CID 123769876
5-But-3-enyl-3-methyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one
CID 130024085

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide?
The IUPAC name of N-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide (CID 123594289) is N-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide.
What is the SMILES notation for N-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide?
The canonical SMILES for N-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide is C=CC(=C)CCC(=O)NC1C(C)=NC1C.
What is the InChIKey of N-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide?
The InChIKey is RWIAWMLJSVNYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-5-8(2)6-7-11(15)14-12-9(3)13-10(12)4/h5,9,12H,1-2,6-7H2,3-4H3,(H,14,15).
What are the key properties of N-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide?
N-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide has a molecular weight of 206.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide is sourced from PubChem (CID 123594289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).