2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one

C15H18N2O2 — CID 66194764

IUPAC2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1C1C(N)CC1OCC
InChIInChI=1S/C15H18N2O2/c1-3-19-13-8-12(16)14(13)17-9(2)10-6-4-5-7-11(10)15(17)18/h4-7,12-14H,2-3,8,16H2,1H3
InChIKeyYTDRTOUXDUOJKQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.62
Rot. Bonds3

About 2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one

2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one (PubChem CID 66194764) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one.

Molecular Properties

Compound Name2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one
PubChem CID66194764
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1C1C(N)CC1OCC
InChIInChI=1S/C15H18N2O2/c1-3-19-13-8-12(16)14(13)17-9(2)10-6-4-5-7-11(10)15(17)18/h4-7,12-14H,2-3,8,16H2,1H3
InChIKeyYTDRTOUXDUOJKQ-UHFFFAOYSA-N
XLogP1.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-4-ethoxycyclobutyl)-4H-isoquinoline-1,3-dione
CID 66195341
2-(2-amino-4-ethoxycyclobutyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 66197269
ethyl (4S)-2-methyl-4-(1-methylidene-3-oxoisoindol-2-yl)-3-oxo-2-azabicyclo[5.1.0]octane-8-carboxylate
CID 146941965
2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one
CID 114631704
3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one
CID 79672188
2-[(1S,2R,3S,5S)-3-amino-2-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione;2-[(1S,2S,3S,5S)-3-methyl-2-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione
CID 158891815
diethyl (2R)-2-(1,3-dioxoisoindol-2-yl)cyclopropane-1,1-dicarboxylate
CID 169410251
3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine
CID 79677468
methyl (2R,4R)-4-(1,3-dioxoisoindol-2-yl)-2-ethoxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 641843
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 75373414
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylidenepentanoate
CID 10912681
2-hydroxyisoindole-1,3-dione;propane
CID 143899638

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one?
The IUPAC name of 2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one (CID 66194764) is 2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one.
What is the SMILES notation for 2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one?
The canonical SMILES for 2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one is C=C1c2ccccc2C(=O)N1C1C(N)CC1OCC.
What is the InChIKey of 2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one?
The InChIKey is YTDRTOUXDUOJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-19-13-8-12(16)14(13)17-9(2)10-6-4-5-7-11(10)15(17)18/h4-7,12-14H,2-3,8,16H2,1H3.
What are the key properties of 2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one?
2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one has a molecular weight of 258.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one is sourced from PubChem (CID 66194764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).