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

C8H13ClN2O2 — CID 146109198

IUPAC2-chloro-N-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)CCl)C1=O
InChIInChI=1S/C8H13ClN2O2/c1-11-3-2-6(8(11)13)5-10-7(12)4-9/h6H,2-5H2,1H3,(H,10,12)
InChIKeyKBBNJNGCLMJCIN-UHFFFAOYSA-N
MW204.66 g/mol
LogP-0.18
Rot. Bonds3

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

2-chloro-N-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide (PubChem CID 146109198) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-chloro-N-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide
PubChem CID146109198
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name2-chloro-N-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)CCl)C1=O
InChIInChI=1S/C8H13ClN2O2/c1-11-3-2-6(8(11)13)5-10-7(12)4-9/h6H,2-5H2,1H3,(H,10,12)
InChIKeyKBBNJNGCLMJCIN-UHFFFAOYSA-N
XLogP-0.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 5-0.18
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-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide (CID 146109198) is 2-chloro-N-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide is CN1CCC(CNC(=O)CCl)C1=O.
What is the InChIKey of 2-chloro-N-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide?
The InChIKey is KBBNJNGCLMJCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c1-11-3-2-6(8(11)13)5-10-7(12)4-9/h6H,2-5H2,1H3,(H,10,12).
What are the key properties of 2-chloro-N-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide?
2-chloro-N-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide has a molecular weight of 204.66 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 146109198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).