2-chloro-N-(3-methylbut-2-en-2-yl)acetamide

C7H12ClNO — CID 20554727

IUPAC2-chloro-N-(3-methylbut-2-en-2-yl)acetamide
SMILESCC(C)=C(C)NC(=O)CCl
InChIInChI=1S/C7H12ClNO/c1-5(2)6(3)9-7(10)4-8/h4H2,1-3H3,(H,9,10)
InChIKeyMGYVMWSVPYDBNK-UHFFFAOYSA-N
MW161.63 g/mol
LogP1.66
Rot. Bonds2

About 2-chloro-N-(3-methylbut-2-en-2-yl)acetamide

2-chloro-N-(3-methylbut-2-en-2-yl)acetamide (PubChem CID 20554727) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 2-chloro-N-(3-methylbut-2-en-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylbut-2-en-2-yl)acetamide
PubChem CID20554727
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name2-chloro-N-(3-methylbut-2-en-2-yl)acetamide
SMILESCC(C)=C(C)NC(=O)CCl
InChIInChI=1S/C7H12ClNO/c1-5(2)6(3)9-7(10)4-8/h4H2,1-3H3,(H,9,10)
InChIKeyMGYVMWSVPYDBNK-UHFFFAOYSA-N
XLogP1.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.66
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-(3-methylbut-2-en-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(3-methylbut-2-en-2-yl)acetamide (CID 20554727) is 2-chloro-N-(3-methylbut-2-en-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-methylbut-2-en-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3-methylbut-2-en-2-yl)acetamide is CC(C)=C(C)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(3-methylbut-2-en-2-yl)acetamide?
The InChIKey is MGYVMWSVPYDBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-5(2)6(3)9-7(10)4-8/h4H2,1-3H3,(H,9,10).
What are the key properties of 2-chloro-N-(3-methylbut-2-en-2-yl)acetamide?
2-chloro-N-(3-methylbut-2-en-2-yl)acetamide has a molecular weight of 161.63 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylbut-2-en-2-yl)acetamide is sourced from PubChem (CID 20554727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).