1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride

C8H17ClN2O — CID 71757199

IUPAC1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCNCC1CCN(C(C)=O)C1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-7(11)10-4-3-8(6-10)5-9-2;/h8-9H,3-6H2,1-2H3;1H
InChIKeyCWHJBNSUXWNOSD-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.50
Rot. Bonds2

About 1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride

1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 71757199) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID71757199
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCNCC1CCN(C(C)=O)C1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-7(11)10-4-3-8(6-10)5-9-2;/h8-9H,3-6H2,1-2H3;1H
InChIKeyCWHJBNSUXWNOSD-UHFFFAOYSA-N
XLogP0.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride (CID 71757199) is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride is CNCC1CCN(C(C)=O)C1.Cl.
What is the InChIKey of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is CWHJBNSUXWNOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-7(11)10-4-3-8(6-10)5-9-2;/h8-9H,3-6H2,1-2H3;1H.
What are the key properties of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride?
1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 71757199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).