ethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione

C13H17NO2 — CID 143987037

IUPACethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione
SMILESCC.CCN1C(=O)C2=CC3CC3C=C2C1=O
InChIInChI=1S/C11H11NO2.C2H6/c1-2-12-10(13)8-4-6-3-7(6)5-9(8)11(12)14;1-2/h4-7H,2-3H2,1H3;1-2H3
InChIKeyYNVDFDCISLTVOE-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.90
Rot. Bonds1

About ethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione

ethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione (PubChem CID 143987037) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione.

Molecular Properties

Compound Nameethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione
PubChem CID143987037
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione
SMILESCC.CCN1C(=O)C2=CC3CC3C=C2C1=O
InChIInChI=1S/C11H11NO2.C2H6/c1-2-12-10(13)8-4-6-3-7(6)5-9(8)11(12)14;1-2/h4-7H,2-3H2,1H3;1-2H3
InChIKeyYNVDFDCISLTVOE-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione?
The IUPAC name of ethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione (CID 143987037) is ethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione.
What is the SMILES notation for ethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione?
The canonical SMILES for ethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione is CC.CCN1C(=O)C2=CC3CC3C=C2C1=O.
What is the InChIKey of ethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione?
The InChIKey is YNVDFDCISLTVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C2H6/c1-2-12-10(13)8-4-6-3-7(6)5-9(8)11(12)14;1-2/h4-7H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione?
ethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione has a molecular weight of 219.28 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5,5a-dihydro-4aH-cyclopropa[f]isoindole-1,3-dione is sourced from PubChem (CID 143987037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).