2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide

C8H14ClNO2 — CID 82733963

IUPAC2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide
SMILESCC1OCCC1N(C)C(=O)CCl
InChIInChI=1S/C8H14ClNO2/c1-6-7(3-4-12-6)10(2)8(11)5-9/h6-7H,3-5H2,1-2H3
InChIKeyNRCNDPGHQUKSRE-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.86
Rot. Bonds2

About 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide

2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide (PubChem CID 82733963) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide
PubChem CID82733963
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide
SMILESCC1OCCC1N(C)C(=O)CCl
InChIInChI=1S/C8H14ClNO2/c1-6-7(3-4-12-6)10(2)8(11)5-9/h6-7H,3-5H2,1-2H3
InChIKeyNRCNDPGHQUKSRE-UHFFFAOYSA-N
XLogP0.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.86
H-Bond Donors ≤ 50
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-methyl-N-(2-methyloxolan-3-yl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide (CID 82733963) is 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide is CC1OCCC1N(C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide?
The InChIKey is NRCNDPGHQUKSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-6-7(3-4-12-6)10(2)8(11)5-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide?
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide has a molecular weight of 191.66 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide is sourced from PubChem (CID 82733963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).