2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide

C11H18ClNO — CID 20548521

IUPAC2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide
SMILESCC1C=C(N(C)C(=O)CCl)C(C)(C)C1
InChIInChI=1S/C11H18ClNO/c1-8-5-9(11(2,3)6-8)13(4)10(14)7-12/h5,8H,6-7H2,1-4H3
InChIKeyZOGAVWPTCBWBJV-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.63
Rot. Bonds2

About 2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide

2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide (PubChem CID 20548521) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide
PubChem CID20548521
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide
SMILESCC1C=C(N(C)C(=O)CCl)C(C)(C)C1
InChIInChI=1S/C11H18ClNO/c1-8-5-9(11(2,3)6-8)13(4)10(14)7-12/h5,8H,6-7H2,1-4H3
InChIKeyZOGAVWPTCBWBJV-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.63
H-Bond Donors ≤ 50
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-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide (CID 20548521) is 2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide is CC1C=C(N(C)C(=O)CCl)C(C)(C)C1.
What is the InChIKey of 2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide?
The InChIKey is ZOGAVWPTCBWBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-8-5-9(11(2,3)6-8)13(4)10(14)7-12/h5,8H,6-7H2,1-4H3.
What are the key properties of 2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide?
2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide has a molecular weight of 215.72 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide is sourced from PubChem (CID 20548521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).