1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C11H22ClN3O — CID 120897382

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC1(CN2CCCC2C(N)=O)CCNC1.Cl
InChIInChI=1S/C11H21N3O.ClH/c1-11(4-5-13-7-11)8-14-6-2-3-9(14)10(12)15;/h9,13H,2-8H2,1H3,(H2,12,15);1H
InChIKeySHJMOMLYJFFZGU-UHFFFAOYSA-N
MW247.77 g/mol
LogP0.36
Rot. Bonds3

About 1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride

1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120897382) has the molecular formula C11H22ClN3O and a molecular weight of 247.77 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120897382
Molecular FormulaC11H22ClN3O
Molecular Weight247.77 g/mol
Exact Mass247.15
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC1(CN2CCCC2C(N)=O)CCNC1.Cl
InChIInChI=1S/C11H21N3O.ClH/c1-11(4-5-13-7-11)8-14-6-2-3-9(14)10(12)15;/h9,13H,2-8H2,1H3,(H2,12,15);1H
InChIKeySHJMOMLYJFFZGU-UHFFFAOYSA-N
XLogP0.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120897194
2-cyclopentyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899104
2-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899808
1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride
CID 120900705
1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride
CID 120899306
2-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]azepane;hydrochloride
CID 120900766
2-(2-methylbutan-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 120901374
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride
CID 120898475
2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899076
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride
CID 120901750
1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride
CID 120897555

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 120897382) is 1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is CC1(CN2CCCC2C(N)=O)CCNC1.Cl.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is SHJMOMLYJFFZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.ClH/c1-11(4-5-13-7-11)8-14-6-2-3-9(14)10(12)15;/h9,13H,2-8H2,1H3,(H2,12,15);1H.
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120897382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).