2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide

C10H15ClN2O2 — CID 146105401

IUPAC2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide
SMILESO=C(CCl)NCC12CCCC(C1)C(=O)N2
InChIInChI=1S/C10H15ClN2O2/c11-5-8(14)12-6-10-3-1-2-7(4-10)9(15)13-10/h7H,1-6H2,(H,12,14)(H,13,15)
InChIKeyZGYROAXZANUVDW-UHFFFAOYSA-N
MW230.69 g/mol
LogP0.40
Rot. Bonds3

About 2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide

2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide (PubChem CID 146105401) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide
PubChem CID146105401
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide
SMILESO=C(CCl)NCC12CCCC(C1)C(=O)N2
InChIInChI=1S/C10H15ClN2O2/c11-5-8(14)12-6-10-3-1-2-7(4-10)9(15)13-10/h7H,1-6H2,(H,12,14)(H,13,15)
InChIKeyZGYROAXZANUVDW-UHFFFAOYSA-N
XLogP0.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide (CID 146105401) is 2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide is O=C(CCl)NCC12CCCC(C1)C(=O)N2.
What is the InChIKey of 2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide?
The InChIKey is ZGYROAXZANUVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c11-5-8(14)12-6-10-3-1-2-7(4-10)9(15)13-10/h7H,1-6H2,(H,12,14)(H,13,15).
What are the key properties of 2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide?
2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide has a molecular weight of 230.69 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide is sourced from PubChem (CID 146105401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).