2-chloro-N-(2-methylprop-1-enyl)acetamide

C6H10ClNO — CID 55287627

IUPAC2-chloro-N-(2-methylprop-1-enyl)acetamide
SMILESCC(C)=CNC(=O)CCl
InChIInChI=1S/C6H10ClNO/c1-5(2)4-8-6(9)3-7/h4H,3H2,1-2H3,(H,8,9)
InChIKeyUJHPVDCUQGXRGP-UHFFFAOYSA-N
MW147.60 g/mol
LogP1.27
Rot. Bonds2

About 2-chloro-N-(2-methylprop-1-enyl)acetamide

2-chloro-N-(2-methylprop-1-enyl)acetamide (PubChem CID 55287627) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 2-chloro-N-(2-methylprop-1-enyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylprop-1-enyl)acetamide
PubChem CID55287627
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name2-chloro-N-(2-methylprop-1-enyl)acetamide
SMILESCC(C)=CNC(=O)CCl
InChIInChI=1S/C6H10ClNO/c1-5(2)4-8-6(9)3-7/h4H,3H2,1-2H3,(H,8,9)
InChIKeyUJHPVDCUQGXRGP-UHFFFAOYSA-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': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylprop-1-enyl)acetamide?
The IUPAC name of 2-chloro-N-(2-methylprop-1-enyl)acetamide (CID 55287627) is 2-chloro-N-(2-methylprop-1-enyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methylprop-1-enyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methylprop-1-enyl)acetamide is CC(C)=CNC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-methylprop-1-enyl)acetamide?
The InChIKey is UJHPVDCUQGXRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-5(2)4-8-6(9)3-7/h4H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-chloro-N-(2-methylprop-1-enyl)acetamide?
2-chloro-N-(2-methylprop-1-enyl)acetamide 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 2-chloro-N-(2-methylprop-1-enyl)acetamide is sourced from PubChem (CID 55287627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).