(3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride

C11H21ClN2O2 — CID 119781993

IUPAC(3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
SMILESCC1(C)CCN(C(=O)C2CC(O)CN2)C1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-11(2)3-4-13(7-11)10(15)9-5-8(14)6-12-9;/h8-9,12,14H,3-7H2,1-2H3;1H
InChIKeyATJNUYVIZSXWAU-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.39
Rot. Bonds1

About (3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride

(3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride (PubChem CID 119781993) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is (3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
PubChem CID119781993
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name(3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
SMILESCC1(C)CCN(C(=O)C2CC(O)CN2)C1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-11(2)3-4-13(7-11)10(15)9-5-8(14)6-12-9;/h8-9,12,14H,3-7H2,1-2H3;1H
InChIKeyATJNUYVIZSXWAU-UHFFFAOYSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318132
(3-hydroxy-3-methylazetidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 107219224
2-azaspiro[4.5]decan-2-yl-(4-hydroxypyrrolidin-2-yl)methanone
CID 119805335
(3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 119789063
2-azaspiro[5.5]undecan-2-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 124703429
2-azaspiro[5.5]undecan-2-yl-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone
CID 124701635
(4-hydroxypyrrolidin-2-yl)-(3-methyl-3-propylpiperidin-1-yl)methanone
CID 119791971
(3,4-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119791817
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
(3,3-dimethylpyrrolidin-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322655
(3,3-diphenylpiperidin-1-yl)-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 72918423
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 130877437

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride?
The IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride (CID 119781993) is (3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride.
What is the SMILES notation for (3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride?
The canonical SMILES for (3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride is CC1(C)CCN(C(=O)C2CC(O)CN2)C1.Cl.
What is the InChIKey of (3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride?
The InChIKey is ATJNUYVIZSXWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-11(2)3-4-13(7-11)10(15)9-5-8(14)6-12-9;/h8-9,12,14H,3-7H2,1-2H3;1H.
What are the key properties of (3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride?
(3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119781993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).