2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride

C12H23ClN2O2 — CID 110012382

IUPAC2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCC(O)CC1CCCN1C(=O)CNC1CC1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-9(15)7-11-3-2-6-14(11)12(16)8-13-10-4-5-10;/h9-11,13,15H,2-8H2,1H3;1H
InChIKeyPJAWEOGGPXMMFB-UHFFFAOYSA-N
MW262.78 g/mol
LogP0.92
Rot. Bonds5

About 2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride

2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 110012382) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID110012382
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCC(O)CC1CCCN1C(=O)CNC1CC1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-9(15)7-11-3-2-6-14(11)12(16)8-13-10-4-5-10;/h9-11,13,15H,2-8H2,1H3;1H
InChIKeyPJAWEOGGPXMMFB-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 79546453
2-(2-hydroxypropyl)-N-methylpyrrolidine-1-carboxamide
CID 115481757
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone
CID 79548822
2-(2-hydroxypropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 79547049
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one
CID 79547123
cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546457
ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 56933985
1-[2-(2-hydroxypropyl)azepan-1-yl]-4-methylpentan-1-one
CID 79560929
N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide
CID 79560608
(2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 61174194
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride (CID 110012382) is 2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride is CC(O)CC1CCCN1C(=O)CNC1CC1.Cl.
What is the InChIKey of 2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is PJAWEOGGPXMMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-9(15)7-11-3-2-6-14(11)12(16)8-13-10-4-5-10;/h9-11,13,15H,2-8H2,1H3;1H.
What are the key properties of 2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride?
2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 110012382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).