2-methyl-N-(4-oxohex-5-enyl)propanamide

C10H17NO2 — CID 58298981

IUPAC2-methyl-N-(4-oxohex-5-enyl)propanamide
SMILESC=CC(=O)CCCNC(=O)C(C)C
InChIInChI=1S/C10H17NO2/c1-4-9(12)6-5-7-11-10(13)8(2)3/h4,8H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyKYUDJDQMYCGHNR-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.29
Rot. Bonds6

About 2-methyl-N-(4-oxohex-5-enyl)propanamide

2-methyl-N-(4-oxohex-5-enyl)propanamide (PubChem CID 58298981) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-N-(4-oxohex-5-enyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-oxohex-5-enyl)propanamide
PubChem CID58298981
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methyl-N-(4-oxohex-5-enyl)propanamide
SMILESC=CC(=O)CCCNC(=O)C(C)C
InChIInChI=1S/C10H17NO2/c1-4-9(12)6-5-7-11-10(13)8(2)3/h4,8H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyKYUDJDQMYCGHNR-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.29
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 2-methyl-N-(4-oxohex-5-enyl)propanamide?
The IUPAC name of 2-methyl-N-(4-oxohex-5-enyl)propanamide (CID 58298981) is 2-methyl-N-(4-oxohex-5-enyl)propanamide.
What is the SMILES notation for 2-methyl-N-(4-oxohex-5-enyl)propanamide?
The canonical SMILES for 2-methyl-N-(4-oxohex-5-enyl)propanamide is C=CC(=O)CCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(4-oxohex-5-enyl)propanamide?
The InChIKey is KYUDJDQMYCGHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-9(12)6-5-7-11-10(13)8(2)3/h4,8H,1,5-7H2,2-3H3,(H,11,13).
What are the key properties of 2-methyl-N-(4-oxohex-5-enyl)propanamide?
2-methyl-N-(4-oxohex-5-enyl)propanamide has a molecular weight of 183.25 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-oxohex-5-enyl)propanamide is sourced from PubChem (CID 58298981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).