2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide

C9H17ClN2O — CID 66565746

IUPAC2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
SMILESCCN(C(=O)CCl)[C@@H]1CCN(C)C1
InChIInChI=1S/C9H17ClN2O/c1-3-12(9(13)6-10)8-4-5-11(2)7-8/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyIKPKGEJKIGCLCP-MRVPVSSYSA-N
MW204.70 g/mol
LogP0.78
Rot. Bonds3

About 2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide

2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide (PubChem CID 66565746) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
PubChem CID66565746
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
SMILESCCN(C(=O)CCl)[C@@H]1CCN(C)C1
InChIInChI=1S/C9H17ClN2O/c1-3-12(9(13)6-10)8-4-5-11(2)7-8/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyIKPKGEJKIGCLCP-MRVPVSSYSA-N
XLogP0.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 143734601
2-chloro-N-cyclopropyl-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 66565787
2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 146105333
2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide
CID 66565784
(2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 66565875
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16789802
ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate
CID 143973901
2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide
CID 66565766
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110853781
[2-[(1-methylpyrrolidin-3-yl)-propylamino]-2-oxoethyl] acetate
CID 143375003
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpiperidin-4-yl)acetamide
CID 110754658
N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide
CID 59675990

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide (CID 66565746) is 2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide is CCN(C(=O)CCl)[C@@H]1CCN(C)C1.
What is the InChIKey of 2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide?
The InChIKey is IKPKGEJKIGCLCP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17ClN2O/c1-3-12(9(13)6-10)8-4-5-11(2)7-8/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide?
2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide has a molecular weight of 204.70 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 66565746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).