N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride

C9H19ClN2O — CID 130686018

IUPACN-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCN1CCCC1C.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-8-4-3-6-11(8)7-5-10-9(2)12;/h8H,3-7H2,1-2H3,(H,10,12);1H
InChIKeyYCNDRWSRJYTYDB-UHFFFAOYSA-N
MW206.72 g/mol
LogP1.03
Rot. Bonds3

About N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride

N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride (PubChem CID 130686018) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride
PubChem CID130686018
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC NameN-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCN1CCCC1C.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-8-4-3-6-11(8)7-5-10-9(2)12;/h8H,3-7H2,1-2H3,(H,10,12);1H
InChIKeyYCNDRWSRJYTYDB-UHFFFAOYSA-N
XLogP1.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
3-Acetamidopyrrolidine
CID 522715
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(propan-2-yl)ethanediamide
CID 3156743
1-(2-Propylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 10943400
1-(2-Pentylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11053284
1-(2-Hexylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11075465
1-(2-Butylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11085063
1-[2-(1-Ethyl-propylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 11127914
1-(2-Isopropylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11138020
(2S)-aminobutyryl-L-proline (R)-sec-butylamide
CID 11579736

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride (CID 130686018) is N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride is CC(=O)NCCN1CCCC1C.Cl.
What is the InChIKey of N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride?
The InChIKey is YCNDRWSRJYTYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-8-4-3-6-11(8)7-5-10-9(2)12;/h8H,3-7H2,1-2H3,(H,10,12);1H.
What are the key properties of N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride?
N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 130686018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).