N-[2-(ethylamino)-2-oxoethyl]pent-4-enamide

C9H16N2O2 — CID 58637784

IUPACN-[2-(ethylamino)-2-oxoethyl]pent-4-enamide
SMILESC=CCCC(=O)NCC(=O)NCC
InChIInChI=1S/C9H16N2O2/c1-3-5-6-8(12)11-7-9(13)10-4-2/h3H,1,4-7H2,2H3,(H,10,13)(H,11,12)
InChIKeyDNXSNWAXRLFIBE-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.20
Rot. Bonds6

About N-[2-(ethylamino)-2-oxoethyl]pent-4-enamide

N-[2-(ethylamino)-2-oxoethyl]pent-4-enamide (PubChem CID 58637784) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]pent-4-enamide
PubChem CID58637784
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]pent-4-enamide
SMILESC=CCCC(=O)NCC(=O)NCC
InChIInChI=1S/C9H16N2O2/c1-3-5-6-8(12)11-7-9(13)10-4-2/h3H,1,4-7H2,2H3,(H,10,13)(H,11,12)
InChIKeyDNXSNWAXRLFIBE-UHFFFAOYSA-N
XLogP0.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-(ethylamino)-2-oxoethyl]pent-4-enamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]pent-4-enamide (CID 58637784) is N-[2-(ethylamino)-2-oxoethyl]pent-4-enamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]pent-4-enamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]pent-4-enamide is C=CCCC(=O)NCC(=O)NCC.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]pent-4-enamide?
The InChIKey is DNXSNWAXRLFIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-5-6-8(12)11-7-9(13)10-4-2/h3H,1,4-7H2,2H3,(H,10,13)(H,11,12).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]pent-4-enamide?
N-[2-(ethylamino)-2-oxoethyl]pent-4-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]pent-4-enamide is sourced from PubChem (CID 58637784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).