2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride

C11H19ClN2O — CID 130736284

IUPAC2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)C=C2CCC2)C1.Cl
InChIInChI=1S/C11H18N2O.ClH/c1-12-10-5-6-13(8-10)11(14)7-9-3-2-4-9;/h7,10,12H,2-6,8H2,1H3;1H
InChIKeyAAPBLYOATXWEJO-UHFFFAOYSA-N
MW230.74 g/mol
LogP1.34
Rot. Bonds2

About 2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride

2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 130736284) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID130736284
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)C=C2CCC2)C1.Cl
InChIInChI=1S/C11H18N2O.ClH/c1-12-10-5-6-13(8-10)11(14)7-9-3-2-4-9;/h7,10,12H,2-6,8H2,1H3;1H
InChIKeyAAPBLYOATXWEJO-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea
CID 56798806
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265
3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 83697103
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
1-[3-(methylamino)pyrrolidin-1-yl]-2-methylsulfonylethanone
CID 81466280
(E)-3-(furan-2-yl)-1-[3-(methylamino)pyrrolidin-1-yl]prop-2-en-1-one
CID 81469240
1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-cyclobutylideneethanone
CID 136560284
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
(3-bromofuran-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413838
(4-tert-butylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413934
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride (CID 130736284) is 2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride is CNC1CCN(C(=O)C=C2CCC2)C1.Cl.
What is the InChIKey of 2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is AAPBLYOATXWEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.ClH/c1-12-10-5-6-13(8-10)11(14)7-9-3-2-4-9;/h7,10,12H,2-6,8H2,1H3;1H.
What are the key properties of 2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride?
2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 230.74 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 130736284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).