N-acetyl-4-methyl-N-prop-2-enylpentanamide

C11H19NO2 — CID 90843819

IUPACN-acetyl-4-methyl-N-prop-2-enylpentanamide
SMILESC=CCN(C(C)=O)C(=O)CCC(C)C
InChIInChI=1S/C11H19NO2/c1-5-8-12(10(4)13)11(14)7-6-9(2)3/h5,9H,1,6-8H2,2-4H3
InChIKeyHSSDCHHQIMJKAG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.98
Rot. Bonds5

About N-acetyl-4-methyl-N-prop-2-enylpentanamide

N-acetyl-4-methyl-N-prop-2-enylpentanamide (PubChem CID 90843819) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-acetyl-4-methyl-N-prop-2-enylpentanamide.

Molecular Properties

Compound NameN-acetyl-4-methyl-N-prop-2-enylpentanamide
PubChem CID90843819
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-acetyl-4-methyl-N-prop-2-enylpentanamide
SMILESC=CCN(C(C)=O)C(=O)CCC(C)C
InChIInChI=1S/C11H19NO2/c1-5-8-12(10(4)13)11(14)7-6-9(2)3/h5,9H,1,6-8H2,2-4H3
InChIKeyHSSDCHHQIMJKAG-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-4-methyl-N-prop-2-enylpentanamide?
The IUPAC name of N-acetyl-4-methyl-N-prop-2-enylpentanamide (CID 90843819) is N-acetyl-4-methyl-N-prop-2-enylpentanamide.
What is the SMILES notation for N-acetyl-4-methyl-N-prop-2-enylpentanamide?
The canonical SMILES for N-acetyl-4-methyl-N-prop-2-enylpentanamide is C=CCN(C(C)=O)C(=O)CCC(C)C.
What is the InChIKey of N-acetyl-4-methyl-N-prop-2-enylpentanamide?
The InChIKey is HSSDCHHQIMJKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-8-12(10(4)13)11(14)7-6-9(2)3/h5,9H,1,6-8H2,2-4H3.
What are the key properties of N-acetyl-4-methyl-N-prop-2-enylpentanamide?
N-acetyl-4-methyl-N-prop-2-enylpentanamide has a molecular weight of 197.28 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-4-methyl-N-prop-2-enylpentanamide is sourced from PubChem (CID 90843819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).