2-(2-cyclohexylideneethoxy)isoindole-1,3-dione

C16H17NO3 — CID 24906032

IUPAC2-(2-cyclohexylideneethoxy)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCC=C1CCCCC1
InChIInChI=1S/C16H17NO3/c18-15-13-8-4-5-9-14(13)16(19)17(15)20-11-10-12-6-2-1-3-7-12/h4-5,8-10H,1-3,6-7,11H2
InChIKeyBDRCCBYYQNEKTD-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.10
Rot. Bonds3

About 2-(2-cyclohexylideneethoxy)isoindole-1,3-dione

2-(2-cyclohexylideneethoxy)isoindole-1,3-dione (PubChem CID 24906032) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-cyclohexylideneethoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-cyclohexylideneethoxy)isoindole-1,3-dione
PubChem CID24906032
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(2-cyclohexylideneethoxy)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCC=C1CCCCC1
InChIInChI=1S/C16H17NO3/c18-15-13-8-4-5-9-14(13)16(19)17(15)20-11-10-12-6-2-1-3-7-12/h4-5,8-10H,1-3,6-7,11H2
InChIKeyBDRCCBYYQNEKTD-UHFFFAOYSA-N
XLogP3.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-pent-2-enoxyisoindole-1,3-dione
CID 59905208
2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione
CID 15022280
2-[(E)-3-(4-bromophenyl)prop-2-enoxy]isoindole-1,3-dione
CID 23353082
2-[(chloroamino)methoxy]isoindole-1,3-dione
CID 89136693
2-[[4-(chloromethyl)phenyl]methoxy]isoindole-1,3-dione
CID 23315738
ethyl (E)-4-(1,3-dioxoisoindol-2-yl)oxybut-2-enoate
CID 131247502
2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione
CID 134348113
2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione
CID 18695517
3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium
CID 155683089
2-[2-(chloromethoxy)ethoxy]isoindole-1,3-dione
CID 86101763
2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione
CID 172639657
2-hept-6-enoxyisoindole-1,3-dione
CID 162768811

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylideneethoxy)isoindole-1,3-dione?
The IUPAC name of 2-(2-cyclohexylideneethoxy)isoindole-1,3-dione (CID 24906032) is 2-(2-cyclohexylideneethoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-cyclohexylideneethoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(2-cyclohexylideneethoxy)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCC=C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylideneethoxy)isoindole-1,3-dione?
The InChIKey is BDRCCBYYQNEKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15-13-8-4-5-9-14(13)16(19)17(15)20-11-10-12-6-2-1-3-7-12/h4-5,8-10H,1-3,6-7,11H2.
What are the key properties of 2-(2-cyclohexylideneethoxy)isoindole-1,3-dione?
2-(2-cyclohexylideneethoxy)isoindole-1,3-dione has a molecular weight of 271.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylideneethoxy)isoindole-1,3-dione is sourced from PubChem (CID 24906032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).