(Z)-3-chloro-N-ethylbut-2-enamide

C6H10ClNO — CID 55286817

IUPAC(Z)-3-chloro-N-ethylbut-2-enamide
SMILESCCNC(=O)/C=C(/C)Cl
InChIInChI=1S/C6H10ClNO/c1-3-8-6(9)4-5(2)7/h4H,3H2,1-2H3,(H,8,9)/b5-4-
InChIKeyICGSFGYWSAXAID-PLNGDYQASA-N
MW147.60 g/mol
LogP1.27
Rot. Bonds2

About (Z)-3-chloro-N-ethylbut-2-enamide

(Z)-3-chloro-N-ethylbut-2-enamide (PubChem CID 55286817) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is (Z)-3-chloro-N-ethylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-chloro-N-ethylbut-2-enamide
PubChem CID55286817
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name(Z)-3-chloro-N-ethylbut-2-enamide
SMILESCCNC(=O)/C=C(/C)Cl
InChIInChI=1S/C6H10ClNO/c1-3-8-6(9)4-5(2)7/h4H,3H2,1-2H3,(H,8,9)/b5-4-
InChIKeyICGSFGYWSAXAID-PLNGDYQASA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (Z)-3-chloro-N-ethylbut-2-enamide?
The IUPAC name of (Z)-3-chloro-N-ethylbut-2-enamide (CID 55286817) is (Z)-3-chloro-N-ethylbut-2-enamide.
What is the SMILES notation for (Z)-3-chloro-N-ethylbut-2-enamide?
The canonical SMILES for (Z)-3-chloro-N-ethylbut-2-enamide is CCNC(=O)/C=C(/C)Cl.
What is the InChIKey of (Z)-3-chloro-N-ethylbut-2-enamide?
The InChIKey is ICGSFGYWSAXAID-PLNGDYQASA-N. The full InChI is InChI=1S/C6H10ClNO/c1-3-8-6(9)4-5(2)7/h4H,3H2,1-2H3,(H,8,9)/b5-4-.
What are the key properties of (Z)-3-chloro-N-ethylbut-2-enamide?
(Z)-3-chloro-N-ethylbut-2-enamide has a molecular weight of 147.60 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-N-ethylbut-2-enamide is sourced from PubChem (CID 55286817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).