N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide

C9H14ClNO — CID 118941190

IUPACN-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)CC12CC(Cl)(C1)C2
InChIInChI=1S/C9H14ClNO/c1-7(12)11(2)6-8-3-9(10,4-8)5-8/h3-6H2,1-2H3
InChIKeyCYNDHPNCRYNYIF-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.63
Rot. Bonds2

About N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide

N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide (PubChem CID 118941190) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide
PubChem CID118941190
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC NameN-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)CC12CC(Cl)(C1)C2
InChIInChI=1S/C9H14ClNO/c1-7(12)11(2)6-8-3-9(10,4-8)5-8/h3-6H2,1-2H3
InChIKeyCYNDHPNCRYNYIF-UHFFFAOYSA-N
XLogP1.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide 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 N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide (CID 118941190) is N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide is CC(=O)N(C)CC12CC(Cl)(C1)C2.
What is the InChIKey of N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide?
The InChIKey is CYNDHPNCRYNYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO/c1-7(12)11(2)6-8-3-9(10,4-8)5-8/h3-6H2,1-2H3.
What are the key properties of N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide?
N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide has a molecular weight of 187.67 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide is sourced from PubChem (CID 118941190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).