(E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide

C9H14ClNO2 — CID 143067401

IUPAC(E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide
SMILESC/C=C(Cl)\C(CC(=O)NC)=C(/C)O
InChIInChI=1S/C9H14ClNO2/c1-4-8(10)7(6(2)12)5-9(13)11-3/h4,12H,5H2,1-3H3,(H,11,13)/b7-6+,8-4+
InChIKeyNNQGHBBPJJALJC-CUXHJGIESA-N
MW203.67 g/mol
LogP2.10
Rot. Bonds3

About (E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide

(E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide (PubChem CID 143067401) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is (E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide.

Molecular Properties

Compound Name(E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide
PubChem CID143067401
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name(E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide
SMILESC/C=C(Cl)\C(CC(=O)NC)=C(/C)O
InChIInChI=1S/C9H14ClNO2/c1-4-8(10)7(6(2)12)5-9(13)11-3/h4,12H,5H2,1-3H3,(H,11,13)/b7-6+,8-4+
InChIKeyNNQGHBBPJJALJC-CUXHJGIESA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide?
The IUPAC name of (E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide (CID 143067401) is (E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide.
What is the SMILES notation for (E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide?
The canonical SMILES for (E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide is C/C=C(Cl)\C(CC(=O)NC)=C(/C)O.
What is the InChIKey of (E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide?
The InChIKey is NNQGHBBPJJALJC-CUXHJGIESA-N. The full InChI is InChI=1S/C9H14ClNO2/c1-4-8(10)7(6(2)12)5-9(13)11-3/h4,12H,5H2,1-3H3,(H,11,13)/b7-6+,8-4+.
What are the key properties of (E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide?
(E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide has a molecular weight of 203.67 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3E)-4-chloro-3-(1-hydroxyethylidene)-N-methylhex-4-enamide is sourced from PubChem (CID 143067401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).