N-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide

C11H18N2O2 — CID 58231890

IUPACN-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)CCCNCCNC(=O)C=C
InChIInChI=1S/C11H18N2O2/c1-3-10(14)6-5-7-12-8-9-13-11(15)4-2/h3-4,12H,1-2,5-9H2,(H,13,15)
InChIKeyGNAZFMTTZYBTTE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.41
Rot. Bonds9

About N-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide

N-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide (PubChem CID 58231890) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide
PubChem CID58231890
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)CCCNCCNC(=O)C=C
InChIInChI=1S/C11H18N2O2/c1-3-10(14)6-5-7-12-8-9-13-11(15)4-2/h3-4,12H,1-2,5-9H2,(H,13,15)
InChIKeyGNAZFMTTZYBTTE-UHFFFAOYSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide (CID 58231890) is N-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide is C=CC(=O)CCCNCCNC(=O)C=C.
What is the InChIKey of N-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide?
The InChIKey is GNAZFMTTZYBTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-10(14)6-5-7-12-8-9-13-11(15)4-2/h3-4,12H,1-2,5-9H2,(H,13,15).
What are the key properties of N-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide?
N-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide has a molecular weight of 210.28 g/mol, XLogP of 0.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxohex-5-enylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 58231890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).