N,N-diethyl-4-methyl-2-methylidenepent-4-enamide

C11H19NO — CID 556830

IUPACN,N-diethyl-4-methyl-2-methylidenepent-4-enamide
SMILESC=C(C)CC(=C)C(=O)N(CC)CC
InChIInChI=1S/C11H19NO/c1-6-12(7-2)11(13)10(5)8-9(3)4/h3,5-8H2,1-2,4H3
InChIKeyPGJPRQKWFFRLNU-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.38
Rot. Bonds5

About N,N-diethyl-4-methyl-2-methylidenepent-4-enamide

N,N-diethyl-4-methyl-2-methylidenepent-4-enamide (PubChem CID 556830) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-2-methylidenepent-4-enamide.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-2-methylidenepent-4-enamide
PubChem CID556830
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,N-diethyl-4-methyl-2-methylidenepent-4-enamide
SMILESC=C(C)CC(=C)C(=O)N(CC)CC
InChIInChI=1S/C11H19NO/c1-6-12(7-2)11(13)10(5)8-9(3)4/h3,5-8H2,1-2,4H3
InChIKeyPGJPRQKWFFRLNU-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-2-methylidenepent-4-enamide?
The IUPAC name of N,N-diethyl-4-methyl-2-methylidenepent-4-enamide (CID 556830) is N,N-diethyl-4-methyl-2-methylidenepent-4-enamide.
What is the SMILES notation for N,N-diethyl-4-methyl-2-methylidenepent-4-enamide?
The canonical SMILES for N,N-diethyl-4-methyl-2-methylidenepent-4-enamide is C=C(C)CC(=C)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-4-methyl-2-methylidenepent-4-enamide?
The InChIKey is PGJPRQKWFFRLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-12(7-2)11(13)10(5)8-9(3)4/h3,5-8H2,1-2,4H3.
What are the key properties of N,N-diethyl-4-methyl-2-methylidenepent-4-enamide?
N,N-diethyl-4-methyl-2-methylidenepent-4-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-2-methylidenepent-4-enamide is sourced from PubChem (CID 556830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).