4-methyl-N-propan-2-ylpent-4-enamide

C9H17NO — CID 59532819

IUPAC4-methyl-N-propan-2-ylpent-4-enamide
SMILESC=C(C)CCC(=O)NC(C)C
InChIInChI=1S/C9H17NO/c1-7(2)5-6-9(11)10-8(3)4/h8H,1,5-6H2,2-4H3,(H,10,11)
InChIKeyMFLUKZOVDCIOGH-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds4

About 4-methyl-N-propan-2-ylpent-4-enamide

4-methyl-N-propan-2-ylpent-4-enamide (PubChem CID 59532819) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-methyl-N-propan-2-ylpent-4-enamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-ylpent-4-enamide
PubChem CID59532819
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-methyl-N-propan-2-ylpent-4-enamide
SMILESC=C(C)CCC(=O)NC(C)C
InChIInChI=1S/C9H17NO/c1-7(2)5-6-9(11)10-8(3)4/h8H,1,5-6H2,2-4H3,(H,10,11)
InChIKeyMFLUKZOVDCIOGH-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.87
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 4-methyl-N-propan-2-ylpent-4-enamide?
The IUPAC name of 4-methyl-N-propan-2-ylpent-4-enamide (CID 59532819) is 4-methyl-N-propan-2-ylpent-4-enamide.
What is the SMILES notation for 4-methyl-N-propan-2-ylpent-4-enamide?
The canonical SMILES for 4-methyl-N-propan-2-ylpent-4-enamide is C=C(C)CCC(=O)NC(C)C.
What is the InChIKey of 4-methyl-N-propan-2-ylpent-4-enamide?
The InChIKey is MFLUKZOVDCIOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)5-6-9(11)10-8(3)4/h8H,1,5-6H2,2-4H3,(H,10,11).
What are the key properties of 4-methyl-N-propan-2-ylpent-4-enamide?
4-methyl-N-propan-2-ylpent-4-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-ylpent-4-enamide is sourced from PubChem (CID 59532819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).