3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide

C11H21ClN2O — CID 79313879

IUPAC3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
SMILESCCN1CCCC1CN(C)C(=O)CCCl
InChIInChI=1S/C11H21ClN2O/c1-3-14-8-4-5-10(14)9-13(2)11(15)6-7-12/h10H,3-9H2,1-2H3
InChIKeyUHWZWHYUYBGIKE-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.56
Rot. Bonds5

About 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide

3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide (PubChem CID 79313879) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
PubChem CID79313879
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
SMILESCCN1CCCC1CN(C)C(=O)CCCl
InChIInChI=1S/C11H21ClN2O/c1-3-14-8-4-5-10(14)9-13(2)11(15)6-7-12/h10H,3-9H2,1-2H3
InChIKeyUHWZWHYUYBGIKE-UHFFFAOYSA-N
XLogP1.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.56
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

3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]propanamide
CID 79314990
3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313512
2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
CID 79314252
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 79303982
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81169352
4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 82813502
2-(aminomethyl)-2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbutanamide
CID 79314285
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpentanamide
CID 79314761

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide (CID 79313879) is 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide is CCN1CCCC1CN(C)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide?
The InChIKey is UHWZWHYUYBGIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O/c1-3-14-8-4-5-10(14)9-13(2)11(15)6-7-12/h10H,3-9H2,1-2H3.
What are the key properties of 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide?
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide has a molecular weight of 232.75 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 79313879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).