(Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide

C7H11Cl2NO — CID 139378658

IUPAC(Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide
SMILESCC/C(Cl)=C(\CCCl)C(N)=O
InChIInChI=1S/C7H11Cl2NO/c1-2-6(9)5(3-4-8)7(10)11/h2-4H2,1H3,(H2,10,11)/b6-5-
InChIKeyFABJYQWANMIGJJ-WAYWQWQTSA-N
MW196.08 g/mol
LogP2.00
Rot. Bonds4

About (Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide

(Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide (PubChem CID 139378658) has the molecular formula C7H11Cl2NO and a molecular weight of 196.08 g/mol. Its IUPAC name is (Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide
PubChem CID139378658
Molecular FormulaC7H11Cl2NO
Molecular Weight196.08 g/mol
Exact Mass195.02
IUPAC Name(Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide
SMILESCC/C(Cl)=C(\CCCl)C(N)=O
InChIInChI=1S/C7H11Cl2NO/c1-2-6(9)5(3-4-8)7(10)11/h2-4H2,1H3,(H2,10,11)/b6-5-
InChIKeyFABJYQWANMIGJJ-WAYWQWQTSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-ethylpent-2-enoic acid
CID 139927928
2-ethyl-3-methylbut-2-enamide
CID 55290055
propanoyl chloride;urea
CID 174974689
2-(3-chloropropanoylamino)propanamide
CID 43545572
3-iodo-2-propylhex-2-enamide
CID 173239581
2-ethyl-3-hydroxynon-2-enamide
CID 173008678
[(E)-4-carbamoyl-3-ethylhex-3-en-2-yl] 2-chloroacetate
CID 131730031
acetyl chloride;1,2-dichloroethane
CID 159411616
methane;propanamide
CID 160666730
propanamide;trichloroalumane
CID 174958610
(Z)-N',N',2,3-tetraethylbut-2-enediamide
CID 21097548
2-chloro-3-oxopentanamide
CID 57232001

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide?
The IUPAC name of (Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide (CID 139378658) is (Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide.
What is the SMILES notation for (Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide?
The canonical SMILES for (Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide is CC/C(Cl)=C(\CCCl)C(N)=O.
What is the InChIKey of (Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide?
The InChIKey is FABJYQWANMIGJJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H11Cl2NO/c1-2-6(9)5(3-4-8)7(10)11/h2-4H2,1H3,(H2,10,11)/b6-5-.
What are the key properties of (Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide?
(Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide has a molecular weight of 196.08 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-2-(2-chloroethyl)pent-2-enamide is sourced from PubChem (CID 139378658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).