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

C8H13ClN2O2 — CID 166506421

IUPAC2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
SMILESO=C(CCl)NCCN1CCCC1=O
InChIInChI=1S/C8H13ClN2O2/c9-6-7(12)10-3-5-11-4-1-2-8(11)13/h1-6H2,(H,10,12)
InChIKeyJRMZALCPIAECJQ-UHFFFAOYSA-N
MW204.66 g/mol
LogP-0.04
Rot. Bonds4

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

2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide (PubChem CID 166506421) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
PubChem CID166506421
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
SMILESO=C(CCl)NCCN1CCCC1=O
InChIInChI=1S/C8H13ClN2O2/c9-6-7(12)10-3-5-11-4-1-2-8(11)13/h1-6H2,(H,10,12)
InChIKeyJRMZALCPIAECJQ-UHFFFAOYSA-N
XLogP-0.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 39515430
(Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide
CID 145315268
2-[2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethoxy]ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 574581
1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one
CID 19837416
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 118793653
2-(diethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977577
7-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]heptanamide
CID 119671569
N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide
CID 91787002

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide (CID 166506421) is 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide is O=C(CCl)NCCN1CCCC1=O.
What is the InChIKey of 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The InChIKey is JRMZALCPIAECJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c9-6-7(12)10-3-5-11-4-1-2-8(11)13/h1-6H2,(H,10,12).
What are the key properties of 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide has a molecular weight of 204.66 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 166506421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).