2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide

C11H17ClN2O3 — CID 146086001

IUPAC2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide
SMILESO=C(CCl)NC1CCN(C2CCOCC2)C1=O
InChIInChI=1S/C11H17ClN2O3/c12-7-10(15)13-9-1-4-14(11(9)16)8-2-5-17-6-3-8/h8-9H,1-7H2,(H,13,15)
InChIKeyKBXIDTPKVCGYDB-UHFFFAOYSA-N
MW260.72 g/mol
LogP0.12
Rot. Bonds3

About 2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide

2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 146086001) has the molecular formula C11H17ClN2O3 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide
PubChem CID146086001
Molecular FormulaC11H17ClN2O3
Molecular Weight260.72 g/mol
Exact Mass260.09
IUPAC Name2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide
SMILESO=C(CCl)NC1CCN(C2CCOCC2)C1=O
InChIInChI=1S/C11H17ClN2O3/c12-7-10(15)13-9-1-4-14(11(9)16)8-2-5-17-6-3-8/h8-9H,1-7H2,(H,13,15)
InChIKeyKBXIDTPKVCGYDB-UHFFFAOYSA-N
XLogP0.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide (CID 146086001) is 2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide is O=C(CCl)NC1CCN(C2CCOCC2)C1=O.
What is the InChIKey of 2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is KBXIDTPKVCGYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3/c12-7-10(15)13-9-1-4-14(11(9)16)8-2-5-17-6-3-8/h8-9H,1-7H2,(H,13,15).
What are the key properties of 2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide?
2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 260.72 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 146086001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).