N-butyl-2-methyl-3-methylidene-4-oxopentanamide

C11H19NO2 — CID 23452265

IUPACN-butyl-2-methyl-3-methylidene-4-oxopentanamide
SMILESC=C(C(C)=O)C(C)C(=O)NCCCC
InChIInChI=1S/C11H19NO2/c1-5-6-7-12-11(14)9(3)8(2)10(4)13/h9H,2,5-7H2,1,3-4H3,(H,12,14)
InChIKeyASNADKVRFUDFCI-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.68
Rot. Bonds6

About N-butyl-2-methyl-3-methylidene-4-oxopentanamide

N-butyl-2-methyl-3-methylidene-4-oxopentanamide (PubChem CID 23452265) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-butyl-2-methyl-3-methylidene-4-oxopentanamide.

Molecular Properties

Compound NameN-butyl-2-methyl-3-methylidene-4-oxopentanamide
PubChem CID23452265
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-butyl-2-methyl-3-methylidene-4-oxopentanamide
SMILESC=C(C(C)=O)C(C)C(=O)NCCCC
InChIInChI=1S/C11H19NO2/c1-5-6-7-12-11(14)9(3)8(2)10(4)13/h9H,2,5-7H2,1,3-4H3,(H,12,14)
InChIKeyASNADKVRFUDFCI-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-butyl-2-methyl-3-methylidene-4-oxopentanamide?
The IUPAC name of N-butyl-2-methyl-3-methylidene-4-oxopentanamide (CID 23452265) is N-butyl-2-methyl-3-methylidene-4-oxopentanamide.
What is the SMILES notation for N-butyl-2-methyl-3-methylidene-4-oxopentanamide?
The canonical SMILES for N-butyl-2-methyl-3-methylidene-4-oxopentanamide is C=C(C(C)=O)C(C)C(=O)NCCCC.
What is the InChIKey of N-butyl-2-methyl-3-methylidene-4-oxopentanamide?
The InChIKey is ASNADKVRFUDFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-6-7-12-11(14)9(3)8(2)10(4)13/h9H,2,5-7H2,1,3-4H3,(H,12,14).
What are the key properties of N-butyl-2-methyl-3-methylidene-4-oxopentanamide?
N-butyl-2-methyl-3-methylidene-4-oxopentanamide has a molecular weight of 197.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-3-methylidene-4-oxopentanamide is sourced from PubChem (CID 23452265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).