2,2-dichloropent-3-enamide

C5H7Cl2NO — CID 154087722

IUPAC2,2-dichloropent-3-enamide
SMILESCC=CC(Cl)(Cl)C(N)=O
InChIInChI=1S/C5H7Cl2NO/c1-2-3-5(6,7)4(8)9/h2-3H,1H3,(H2,8,9)
InChIKeyRIIXKGBUGUKMLT-UHFFFAOYSA-N
MW168.02 g/mol
LogP1.22
Rot. Bonds2

About 2,2-dichloropent-3-enamide

2,2-dichloropent-3-enamide (PubChem CID 154087722) has the molecular formula C5H7Cl2NO and a molecular weight of 168.02 g/mol. Its IUPAC name is 2,2-dichloropent-3-enamide.

Molecular Properties

Compound Name2,2-dichloropent-3-enamide
PubChem CID154087722
Molecular FormulaC5H7Cl2NO
Molecular Weight168.02 g/mol
Exact Mass166.99
IUPAC Name2,2-dichloropent-3-enamide
SMILESCC=CC(Cl)(Cl)C(N)=O
InChIInChI=1S/C5H7Cl2NO/c1-2-3-5(6,7)4(8)9/h2-3H,1H3,(H2,8,9)
InChIKeyRIIXKGBUGUKMLT-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.02
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloroacetamide
CID 71309866
2-chloro-2-methylpropanamide;hydrochloride
CID 141117317
(E,2S)-2-amino-2-ethylpent-3-enoic acid
CID 55284732
[2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate
CID 131851796
2-amino-2-methylpent-3-enoic acid
CID 85212787
2,2-dibromo-2-chloroacetamide
CID 57485950
(E)-prop-1-en-1-ol;urea
CID 87083567
(E)-2,2-dimethylpent-3-enoic acid
CID 5367768
hepta-2,5-dien-4-one
CID 54179619
(1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane
CID 143623882
carbamothioic S-acid;prop-1-ene
CID 87430768
methyl 2-methoxy-2-methylpent-3-enoate
CID 151422479

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloropent-3-enamide?
The IUPAC name of 2,2-dichloropent-3-enamide (CID 154087722) is 2,2-dichloropent-3-enamide.
What is the SMILES notation for 2,2-dichloropent-3-enamide?
The canonical SMILES for 2,2-dichloropent-3-enamide is CC=CC(Cl)(Cl)C(N)=O.
What is the InChIKey of 2,2-dichloropent-3-enamide?
The InChIKey is RIIXKGBUGUKMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl2NO/c1-2-3-5(6,7)4(8)9/h2-3H,1H3,(H2,8,9).
What are the key properties of 2,2-dichloropent-3-enamide?
2,2-dichloropent-3-enamide has a molecular weight of 168.02 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloropent-3-enamide is sourced from PubChem (CID 154087722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).