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

C11H17NO2 — CID 158909026

IUPACN-ethyl-N-(4-oxohex-5-enyl)prop-2-enamide
SMILESC=CC(=O)CCCN(CC)C(=O)C=C
InChIInChI=1S/C11H17NO2/c1-4-10(13)8-7-9-12(6-3)11(14)5-2/h4-5H,1-2,6-9H2,3H3
InChIKeyJGKFQWSSAHQEKU-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.56
Rot. Bonds7

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

N-ethyl-N-(4-oxohex-5-enyl)prop-2-enamide (PubChem CID 158909026) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-ethyl-N-(4-oxohex-5-enyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(4-oxohex-5-enyl)prop-2-enamide
PubChem CID158909026
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-ethyl-N-(4-oxohex-5-enyl)prop-2-enamide
SMILESC=CC(=O)CCCN(CC)C(=O)C=C
InChIInChI=1S/C11H17NO2/c1-4-10(13)8-7-9-12(6-3)11(14)5-2/h4-5H,1-2,6-9H2,3H3
InChIKeyJGKFQWSSAHQEKU-UHFFFAOYSA-N
XLogP1.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.56
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-ethyl-N-(4-oxohex-5-enyl)prop-2-enamide?
The IUPAC name of N-ethyl-N-(4-oxohex-5-enyl)prop-2-enamide (CID 158909026) is N-ethyl-N-(4-oxohex-5-enyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-N-(4-oxohex-5-enyl)prop-2-enamide?
The canonical SMILES for N-ethyl-N-(4-oxohex-5-enyl)prop-2-enamide is C=CC(=O)CCCN(CC)C(=O)C=C.
What is the InChIKey of N-ethyl-N-(4-oxohex-5-enyl)prop-2-enamide?
The InChIKey is JGKFQWSSAHQEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-10(13)8-7-9-12(6-3)11(14)5-2/h4-5H,1-2,6-9H2,3H3.
What are the key properties of N-ethyl-N-(4-oxohex-5-enyl)prop-2-enamide?
N-ethyl-N-(4-oxohex-5-enyl)prop-2-enamide has a molecular weight of 195.26 g/mol, XLogP of 1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-oxohex-5-enyl)prop-2-enamide is sourced from PubChem (CID 158909026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).