3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide

C9H17ClN2O — CID 165439782

IUPAC3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide
SMILESCCN(C(=O)CCCl)C1CCNC1
InChIInChI=1S/C9H17ClN2O/c1-2-12(9(13)3-5-10)8-4-6-11-7-8/h8,11H,2-7H2,1H3
InChIKeyLZSVFHSGZDFTQW-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.83
Rot. Bonds4

About 3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide

3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 165439782) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide
PubChem CID165439782
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide
SMILESCCN(C(=O)CCCl)C1CCNC1
InChIInChI=1S/C9H17ClN2O/c1-2-12(9(13)3-5-10)8-4-6-11-7-8/h8,11H,2-7H2,1H3
InChIKeyLZSVFHSGZDFTQW-UHFFFAOYSA-N
XLogP0.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.83
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-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
3-chloro-N-cyclopentyl-N-ethylpropanamide
CID 43541097
ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
CID 60805526
2-cyclohexyl-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 60807538
N,2-diethyl-N-pyrrolidin-3-ylbutanamide
CID 60805502
N-ethyl-N-piperidin-4-ylpent-4-enamide
CID 62679497
(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide
CID 63299656
N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide
CID 76994777
N-ethyl-3,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide
CID 63833754
N-ethyl-2-methylsulfanyl-N-piperidin-3-ylacetamide
CID 63637616
N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 60807189
N-cyclohexyl-N-ethyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119923071

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide (CID 165439782) is 3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide is CCN(C(=O)CCCl)C1CCNC1.
What is the InChIKey of 3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is LZSVFHSGZDFTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O/c1-2-12(9(13)3-5-10)8-4-6-11-7-8/h8,11H,2-7H2,1H3.
What are the key properties of 3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide?
3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 204.70 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 165439782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).