N-(2-chloroethyl)-N-methyloxolane-3-carboxamide

C8H14ClNO2 — CID 63391481

IUPACN-(2-chloroethyl)-N-methyloxolane-3-carboxamide
SMILESCN(CCCl)C(=O)C1CCOC1
InChIInChI=1S/C8H14ClNO2/c1-10(4-3-9)8(11)7-2-5-12-6-7/h7H,2-6H2,1H3
InChIKeyMHTCEQRNMUBBNJ-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.72
Rot. Bonds3

About N-(2-chloroethyl)-N-methyloxolane-3-carboxamide

N-(2-chloroethyl)-N-methyloxolane-3-carboxamide (PubChem CID 63391481) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methyloxolane-3-carboxamide
PubChem CID63391481
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC NameN-(2-chloroethyl)-N-methyloxolane-3-carboxamide
SMILESCN(CCCl)C(=O)C1CCOC1
InChIInChI=1S/C8H14ClNO2/c1-10(4-3-9)8(11)7-2-5-12-6-7/h7H,2-6H2,1H3
InChIKeyMHTCEQRNMUBBNJ-UHFFFAOYSA-N
XLogP0.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.72
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 N-(2-chloroethyl)-N-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-methyloxolane-3-carboxamide (CID 63391481) is N-(2-chloroethyl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-methyloxolane-3-carboxamide is CN(CCCl)C(=O)C1CCOC1.
What is the InChIKey of N-(2-chloroethyl)-N-methyloxolane-3-carboxamide?
The InChIKey is MHTCEQRNMUBBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-10(4-3-9)8(11)7-2-5-12-6-7/h7H,2-6H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-methyloxolane-3-carboxamide?
N-(2-chloroethyl)-N-methyloxolane-3-carboxamide has a molecular weight of 191.66 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 63391481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).