(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide

C10H17NO2 — CID 143912650

IUPAC(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide
SMILESC=CCC/C(=C\C)C(=O)NCCO
InChIInChI=1S/C10H17NO2/c1-3-5-6-9(4-2)10(13)11-7-8-12/h3-4,12H,1,5-8H2,2H3,(H,11,13)/b9-4+
InChIKeyMNKGGJCTNKXUIV-RUDMXATFSA-N
MW183.25 g/mol
LogP1.01
Rot. Bonds6

About (2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide

(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide (PubChem CID 143912650) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide.

Molecular Properties

Compound Name(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide
PubChem CID143912650
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide
SMILESC=CCC/C(=C\C)C(=O)NCCO
InChIInChI=1S/C10H17NO2/c1-3-5-6-9(4-2)10(13)11-7-8-12/h3-4,12H,1,5-8H2,2H3,(H,11,13)/b9-4+
InChIKeyMNKGGJCTNKXUIV-RUDMXATFSA-N
XLogP1.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide?
The IUPAC name of (2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide (CID 143912650) is (2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide.
What is the SMILES notation for (2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide?
The canonical SMILES for (2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide is C=CCC/C(=C\C)C(=O)NCCO.
What is the InChIKey of (2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide?
The InChIKey is MNKGGJCTNKXUIV-RUDMXATFSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-5-6-9(4-2)10(13)11-7-8-12/h3-4,12H,1,5-8H2,2H3,(H,11,13)/b9-4+.
What are the key properties of (2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide?
(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide is sourced from PubChem (CID 143912650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).