N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide

C11H19NO — CID 89138735

IUPACN,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide
SMILESCC(C)=CC(C(=O)N(C)C)=C(C)C
InChIInChI=1S/C11H19NO/c1-8(2)7-10(9(3)4)11(13)12(5)6/h7H,1-6H3
InChIKeyWUFFKPPUQWASQC-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.38
Rot. Bonds2

About N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide

N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide (PubChem CID 89138735) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide
PubChem CID89138735
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide
SMILESCC(C)=CC(C(=O)N(C)C)=C(C)C
InChIInChI=1S/C11H19NO/c1-8(2)7-10(9(3)4)11(13)12(5)6/h7H,1-6H3
InChIKeyWUFFKPPUQWASQC-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide?
The IUPAC name of N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide (CID 89138735) is N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide.
What is the SMILES notation for N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide?
The canonical SMILES for N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide is CC(C)=CC(C(=O)N(C)C)=C(C)C.
What is the InChIKey of N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide?
The InChIKey is WUFFKPPUQWASQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)7-10(9(3)4)11(13)12(5)6/h7H,1-6H3.
What are the key properties of N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide?
N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide is sourced from PubChem (CID 89138735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).