N-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide

C10H18ClNO2 — CID 65155289

IUPACN-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCCCl)C1C
InChIInChI=1S/C10H18ClNO2/c1-6-7(2)14-8(3)9(6)10(13)12-5-4-11/h6-9H,4-5H2,1-3H3,(H,12,13)
InChIKeyIBPOMOVUVOYQSA-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.40
Rot. Bonds3

About N-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65155289) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65155289
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC NameN-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCCCl)C1C
InChIInChI=1S/C10H18ClNO2/c1-6-7(2)14-8(3)9(6)10(13)12-5-4-11/h6-9H,4-5H2,1-3H3,(H,12,13)
InChIKeyIBPOMOVUVOYQSA-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.40
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 N-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65155289) is N-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCCCl)C1C.
What is the InChIKey of N-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is IBPOMOVUVOYQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-6-7(2)14-8(3)9(6)10(13)12-5-4-11/h6-9H,4-5H2,1-3H3,(H,12,13).
What are the key properties of N-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 219.71 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65155289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).