2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide

C12H20ClNO — CID 159210757

IUPAC2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide
SMILESCC1CC2CC(C1)CC(NC(=O)CCl)C2
InChIInChI=1S/C12H20ClNO/c1-8-2-9-4-10(3-8)6-11(5-9)14-12(15)7-13/h8-11H,2-7H2,1H3,(H,14,15)
InChIKeyKQLSGRJXKJMOKB-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.56
Rot. Bonds2

About 2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide

2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide (PubChem CID 159210757) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide
PubChem CID159210757
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide
SMILESCC1CC2CC(C1)CC(NC(=O)CCl)C2
InChIInChI=1S/C12H20ClNO/c1-8-2-9-4-10(3-8)6-11(5-9)14-12(15)7-13/h8-11H,2-7H2,1H3,(H,14,15)
InChIKeyKQLSGRJXKJMOKB-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.56
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-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide?
The IUPAC name of 2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide (CID 159210757) is 2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide.
What is the SMILES notation for 2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide?
The canonical SMILES for 2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide is CC1CC2CC(C1)CC(NC(=O)CCl)C2.
What is the InChIKey of 2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide?
The InChIKey is KQLSGRJXKJMOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c1-8-2-9-4-10(3-8)6-11(5-9)14-12(15)7-13/h8-11H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide?
2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide has a molecular weight of 229.75 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide is sourced from PubChem (CID 159210757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).