2-chloro-N-(oxolan-2-ylmethyl)acetamide

C7H12ClNO2 — CID 532064

IUPAC2-chloro-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CCl)NCC1CCCO1
InChIInChI=1S/C7H12ClNO2/c8-4-7(10)9-5-6-2-1-3-11-6/h6H,1-5H2,(H,9,10)
InChIKeyOINOJHHVQJESIB-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.52
Rot. Bonds3

About 2-chloro-N-(oxolan-2-ylmethyl)acetamide

2-chloro-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 532064) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 2-chloro-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(oxolan-2-ylmethyl)acetamide
PubChem CID532064
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name2-chloro-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CCl)NCC1CCCO1
InChIInChI=1S/C7H12ClNO2/c8-4-7(10)9-5-6-2-1-3-11-6/h6H,1-5H2,(H,9,10)
InChIKeyOINOJHHVQJESIB-UHFFFAOYSA-N
XLogP0.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(oxolan-2-ylmethyl)acetamide (CID 532064) is 2-chloro-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(oxolan-2-ylmethyl)acetamide is O=C(CCl)NCC1CCCO1.
What is the InChIKey of 2-chloro-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OINOJHHVQJESIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2/c8-4-7(10)9-5-6-2-1-3-11-6/h6H,1-5H2,(H,9,10).
What are the key properties of 2-chloro-N-(oxolan-2-ylmethyl)acetamide?
2-chloro-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 177.63 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 532064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).