N-methoxy-N,5-dimethylhex-4-enamide

C9H17NO2 — CID 125497489

IUPACN-methoxy-N,5-dimethylhex-4-enamide
SMILESCON(C)C(=O)CCC=C(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)6-5-7-9(11)10(3)12-4/h6H,5,7H2,1-4H3
InChIKeyOMSICMLGOLXLEY-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.75
Rot. Bonds4

About N-methoxy-N,5-dimethylhex-4-enamide

N-methoxy-N,5-dimethylhex-4-enamide (PubChem CID 125497489) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-methoxy-N,5-dimethylhex-4-enamide.

Molecular Properties

Compound NameN-methoxy-N,5-dimethylhex-4-enamide
PubChem CID125497489
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-methoxy-N,5-dimethylhex-4-enamide
SMILESCON(C)C(=O)CCC=C(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)6-5-7-9(11)10(3)12-4/h6H,5,7H2,1-4H3
InChIKeyOMSICMLGOLXLEY-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-methoxy-N,5-dimethylhex-4-enamide?
The IUPAC name of N-methoxy-N,5-dimethylhex-4-enamide (CID 125497489) is N-methoxy-N,5-dimethylhex-4-enamide.
What is the SMILES notation for N-methoxy-N,5-dimethylhex-4-enamide?
The canonical SMILES for N-methoxy-N,5-dimethylhex-4-enamide is CON(C)C(=O)CCC=C(C)C.
What is the InChIKey of N-methoxy-N,5-dimethylhex-4-enamide?
The InChIKey is OMSICMLGOLXLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)6-5-7-9(11)10(3)12-4/h6H,5,7H2,1-4H3.
What are the key properties of N-methoxy-N,5-dimethylhex-4-enamide?
N-methoxy-N,5-dimethylhex-4-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,5-dimethylhex-4-enamide is sourced from PubChem (CID 125497489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).