2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide

C9H17ClN2O — CID 126988298

IUPAC2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)CCl)C1
InChIInChI=1S/C9H17ClN2O/c1-7(2)12-4-3-8(6-12)11-9(13)5-10/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyKWELGWKGPBONJQ-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.82
Rot. Bonds3

About 2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide

2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide (PubChem CID 126988298) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
PubChem CID126988298
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)CCl)C1
InChIInChI=1S/C9H17ClN2O/c1-7(2)12-4-3-8(6-12)11-9(13)5-10/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyKWELGWKGPBONJQ-UHFFFAOYSA-N
XLogP0.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.82
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

3-(N-Acetyl-N-ethylamino)pyrrolidine
CID 2756274
1-Acetyl-3-ethylaminopyrrolidine
CID 45934254
2-Chloro-N-(2-oxo-2-(1-pyrrolidinyl)ethyl)acetamide
CID 45791361
2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide
CID 127002277
N-[1-(2-Chloropropanoyl)pyrrolidin-3-yl]-3,3,3-trifluoropropanamide
CID 145901094
2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide
CID 166334681
(R)-N-Ethyl-N-(pyrrolidin-3-yl)acetamide
CID 7016131
(S)-N-Ethyl-N-(pyrrolidin-3-yl)acetamide
CID 7144818
(S)-tert-Butyl 3-(2-chloroacetamido)pyrrolidine-1-carboxylate
CID 10945256
3-(N-Acetyl-n-propylamino)pyrrolidine
CID 13401984
Acetamide, N-[2-[bis(1-methylethyl)amino]ethyl]-2-chloro-
CID 18804056
2-chloro-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 20487316

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide (CID 126988298) is 2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide is CC(C)N1CCC(NC(=O)CCl)C1.
What is the InChIKey of 2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide?
The InChIKey is KWELGWKGPBONJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O/c1-7(2)12-4-3-8(6-12)11-9(13)5-10/h7-8H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide?
2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide has a molecular weight of 204.70 g/mol, XLogP of 0.82, 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-propan-2-ylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 126988298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).