N-[3-(chloromethyl)oxolan-3-yl]acetamide

C7H12ClNO2 — CID 131008261

IUPACN-[3-(chloromethyl)oxolan-3-yl]acetamide
SMILESCC(=O)NC1(CCl)CCOC1
InChIInChI=1S/C7H12ClNO2/c1-6(10)9-7(4-8)2-3-11-5-7/h2-5H2,1H3,(H,9,10)
InChIKeyDMKXRACVMONYFA-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.52
Rot. Bonds2

About N-[3-(chloromethyl)oxolan-3-yl]acetamide

N-[3-(chloromethyl)oxolan-3-yl]acetamide (PubChem CID 131008261) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is N-[3-(chloromethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)oxolan-3-yl]acetamide
PubChem CID131008261
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC NameN-[3-(chloromethyl)oxolan-3-yl]acetamide
SMILESCC(=O)NC1(CCl)CCOC1
InChIInChI=1S/C7H12ClNO2/c1-6(10)9-7(4-8)2-3-11-5-7/h2-5H2,1H3,(H,9,10)
InChIKeyDMKXRACVMONYFA-UHFFFAOYSA-N
XLogP0.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(chloromethyl)oxolan-3-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-propyloxolan-3-yl)acetamide
CID 130634427
N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide
CID 131115063
N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide
CID 106300401
N-[4-(chloromethyl)oxan-4-yl]-3-methylbutanamide
CID 106300477
N-[4-(chloromethyl)oxan-4-yl]-2-methylsulfanylacetamide
CID 106300644
tert-butyl N-[4-(chloromethyl)oxan-4-yl]carbamate
CID 106300353
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
CID 106300320
N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
CID 114303940
N-[3-(hydroxymethyl)oxolan-3-yl]-2,2-dimethylpropanamide
CID 130949339
N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide
CID 114170539
N-(1-ethylcyclopropyl)acetamide
CID 67691252
N-(4-acetyloxan-4-yl)acetamide
CID 118218318

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)oxolan-3-yl]acetamide?
The IUPAC name of N-[3-(chloromethyl)oxolan-3-yl]acetamide (CID 131008261) is N-[3-(chloromethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for N-[3-(chloromethyl)oxolan-3-yl]acetamide?
The canonical SMILES for N-[3-(chloromethyl)oxolan-3-yl]acetamide is CC(=O)NC1(CCl)CCOC1.
What is the InChIKey of N-[3-(chloromethyl)oxolan-3-yl]acetamide?
The InChIKey is DMKXRACVMONYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-6(10)9-7(4-8)2-3-11-5-7/h2-5H2,1H3,(H,9,10).
What are the key properties of N-[3-(chloromethyl)oxolan-3-yl]acetamide?
N-[3-(chloromethyl)oxolan-3-yl]acetamide has a molecular weight of 177.63 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 131008261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).