2-methylidene-N-(2-methylprop-2-enoyl)hexanamide

C11H17NO2 — CID 91364838

IUPAC2-methylidene-N-(2-methylprop-2-enoyl)hexanamide
SMILESC=C(C)C(=O)NC(=O)C(=C)CCCC
InChIInChI=1S/C11H17NO2/c1-5-6-7-9(4)11(14)12-10(13)8(2)3/h2,4-7H2,1,3H3,(H,12,13,14)
InChIKeyPQLRPOULRIFLHB-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.95
Rot. Bonds5

About 2-methylidene-N-(2-methylprop-2-enoyl)hexanamide

2-methylidene-N-(2-methylprop-2-enoyl)hexanamide (PubChem CID 91364838) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-methylidene-N-(2-methylprop-2-enoyl)hexanamide.

Molecular Properties

Compound Name2-methylidene-N-(2-methylprop-2-enoyl)hexanamide
PubChem CID91364838
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-methylidene-N-(2-methylprop-2-enoyl)hexanamide
SMILESC=C(C)C(=O)NC(=O)C(=C)CCCC
InChIInChI=1S/C11H17NO2/c1-5-6-7-9(4)11(14)12-10(13)8(2)3/h2,4-7H2,1,3H3,(H,12,13,14)
InChIKeyPQLRPOULRIFLHB-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-(2-methylprop-2-enoyl)hexanamide?
The IUPAC name of 2-methylidene-N-(2-methylprop-2-enoyl)hexanamide (CID 91364838) is 2-methylidene-N-(2-methylprop-2-enoyl)hexanamide.
What is the SMILES notation for 2-methylidene-N-(2-methylprop-2-enoyl)hexanamide?
The canonical SMILES for 2-methylidene-N-(2-methylprop-2-enoyl)hexanamide is C=C(C)C(=O)NC(=O)C(=C)CCCC.
What is the InChIKey of 2-methylidene-N-(2-methylprop-2-enoyl)hexanamide?
The InChIKey is PQLRPOULRIFLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-6-7-9(4)11(14)12-10(13)8(2)3/h2,4-7H2,1,3H3,(H,12,13,14).
What are the key properties of 2-methylidene-N-(2-methylprop-2-enoyl)hexanamide?
2-methylidene-N-(2-methylprop-2-enoyl)hexanamide has a molecular weight of 195.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-(2-methylprop-2-enoyl)hexanamide is sourced from PubChem (CID 91364838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).