N-methyl-2-propylpent-4-enamide

C9H17NO — CID 22452455

IUPACN-methyl-2-propylpent-4-enamide
SMILESC=CCC(CCC)C(=O)NC
InChIInChI=1S/C9H17NO/c1-4-6-8(7-5-2)9(11)10-3/h4,8H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyVQOTZKGHMMGTDS-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds5

About N-methyl-2-propylpent-4-enamide

N-methyl-2-propylpent-4-enamide (PubChem CID 22452455) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-methyl-2-propylpent-4-enamide.

Molecular Properties

Compound NameN-methyl-2-propylpent-4-enamide
PubChem CID22452455
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-methyl-2-propylpent-4-enamide
SMILESC=CCC(CCC)C(=O)NC
InChIInChI=1S/C9H17NO/c1-4-6-8(7-5-2)9(11)10-3/h4,8H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyVQOTZKGHMMGTDS-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methyl-2-propylpent-4-enamide?
The IUPAC name of N-methyl-2-propylpent-4-enamide (CID 22452455) is N-methyl-2-propylpent-4-enamide.
What is the SMILES notation for N-methyl-2-propylpent-4-enamide?
The canonical SMILES for N-methyl-2-propylpent-4-enamide is C=CCC(CCC)C(=O)NC.
What is the InChIKey of N-methyl-2-propylpent-4-enamide?
The InChIKey is VQOTZKGHMMGTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-8(7-5-2)9(11)10-3/h4,8H,1,5-7H2,2-3H3,(H,10,11).
What are the key properties of N-methyl-2-propylpent-4-enamide?
N-methyl-2-propylpent-4-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propylpent-4-enamide is sourced from PubChem (CID 22452455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).