N-tert-butyl-4-methylidenehex-5-enamide

C11H19NO — CID 58118954

IUPACN-tert-butyl-4-methylidenehex-5-enamide
SMILESC=CC(=C)CCC(=O)NC(C)(C)C
InChIInChI=1S/C11H19NO/c1-6-9(2)7-8-10(13)12-11(3,4)5/h6H,1-2,7-8H2,3-5H3,(H,12,13)
InChIKeyAWIVDYCKIYYRSG-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.42
Rot. Bonds4

About N-tert-butyl-4-methylidenehex-5-enamide

N-tert-butyl-4-methylidenehex-5-enamide (PubChem CID 58118954) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-tert-butyl-4-methylidenehex-5-enamide.

Molecular Properties

Compound NameN-tert-butyl-4-methylidenehex-5-enamide
PubChem CID58118954
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-tert-butyl-4-methylidenehex-5-enamide
SMILESC=CC(=C)CCC(=O)NC(C)(C)C
InChIInChI=1S/C11H19NO/c1-6-9(2)7-8-10(13)12-11(3,4)5/h6H,1-2,7-8H2,3-5H3,(H,12,13)
InChIKeyAWIVDYCKIYYRSG-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methylidenehex-5-enamide?
The IUPAC name of N-tert-butyl-4-methylidenehex-5-enamide (CID 58118954) is N-tert-butyl-4-methylidenehex-5-enamide.
What is the SMILES notation for N-tert-butyl-4-methylidenehex-5-enamide?
The canonical SMILES for N-tert-butyl-4-methylidenehex-5-enamide is C=CC(=C)CCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methylidenehex-5-enamide?
The InChIKey is AWIVDYCKIYYRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-9(2)7-8-10(13)12-11(3,4)5/h6H,1-2,7-8H2,3-5H3,(H,12,13).
What are the key properties of N-tert-butyl-4-methylidenehex-5-enamide?
N-tert-butyl-4-methylidenehex-5-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylidenehex-5-enamide is sourced from PubChem (CID 58118954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).