N-methyl-N-(4-oxohex-5-enyl)prop-2-enamide

C10H15NO2 — CID 14106557

IUPACN-methyl-N-(4-oxohex-5-enyl)prop-2-enamide
SMILESC=CC(=O)CCCN(C)C(=O)C=C
InChIInChI=1S/C10H15NO2/c1-4-9(12)7-6-8-11(3)10(13)5-2/h4-5H,1-2,6-8H2,3H3
InChIKeyCJEOEVAEJZDNBO-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.17
Rot. Bonds6

About N-methyl-N-(4-oxohex-5-enyl)prop-2-enamide

N-methyl-N-(4-oxohex-5-enyl)prop-2-enamide (PubChem CID 14106557) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-methyl-N-(4-oxohex-5-enyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(4-oxohex-5-enyl)prop-2-enamide
PubChem CID14106557
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-methyl-N-(4-oxohex-5-enyl)prop-2-enamide
SMILESC=CC(=O)CCCN(C)C(=O)C=C
InChIInChI=1S/C10H15NO2/c1-4-9(12)7-6-8-11(3)10(13)5-2/h4-5H,1-2,6-8H2,3H3
InChIKeyCJEOEVAEJZDNBO-UHFFFAOYSA-N
XLogP1.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.17
H-Bond Donors ≤ 50
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 N-methyl-N-(4-oxohex-5-enyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(4-oxohex-5-enyl)prop-2-enamide (CID 14106557) is N-methyl-N-(4-oxohex-5-enyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(4-oxohex-5-enyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(4-oxohex-5-enyl)prop-2-enamide is C=CC(=O)CCCN(C)C(=O)C=C.
What is the InChIKey of N-methyl-N-(4-oxohex-5-enyl)prop-2-enamide?
The InChIKey is CJEOEVAEJZDNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-9(12)7-6-8-11(3)10(13)5-2/h4-5H,1-2,6-8H2,3H3.
What are the key properties of N-methyl-N-(4-oxohex-5-enyl)prop-2-enamide?
N-methyl-N-(4-oxohex-5-enyl)prop-2-enamide has a molecular weight of 181.23 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-oxohex-5-enyl)prop-2-enamide is sourced from PubChem (CID 14106557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).