[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride

C10H19ClN2O2 — CID 172646277

IUPAC[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
SMILESCN[C@@H]1CCN(C(=O)C2CCOC2)C1.Cl
InChIInChI=1S/C10H18N2O2.ClH/c1-11-9-2-4-12(6-9)10(13)8-3-5-14-7-8;/h8-9,11H,2-7H2,1H3;1H/t8?,9-;/m1./s1
InChIKeyOUERXZOLAMOROB-ICLMXVQUSA-N
MW234.73 g/mol
LogP0.26
Rot. Bonds2

About [(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride

[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride (PubChem CID 172646277) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is [(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
PubChem CID172646277
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
SMILESCN[C@@H]1CCN(C(=O)C2CCOC2)C1.Cl
InChIInChI=1S/C10H18N2O2.ClH/c1-11-9-2-4-12(6-9)10(13)8-3-5-14-7-8;/h8-9,11H,2-7H2,1H3;1H/t8?,9-;/m1./s1
InChIKeyOUERXZOLAMOROB-ICLMXVQUSA-N
XLogP0.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 81468978
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129368566
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604
(4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone
CID 114683166
[3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 80666825
(3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 172646215
cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone
CID 172908968
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 115746294
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone
CID 133137430
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride?
The IUPAC name of [(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride (CID 172646277) is [(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride.
What is the SMILES notation for [(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride?
The canonical SMILES for [(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride is CN[C@@H]1CCN(C(=O)C2CCOC2)C1.Cl.
What is the InChIKey of [(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride?
The InChIKey is OUERXZOLAMOROB-ICLMXVQUSA-N. The full InChI is InChI=1S/C10H18N2O2.ClH/c1-11-9-2-4-12(6-9)10(13)8-3-5-14-7-8;/h8-9,11H,2-7H2,1H3;1H/t8?,9-;/m1./s1.
What are the key properties of [(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride?
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride has a molecular weight of 234.73 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride is sourced from PubChem (CID 172646277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).