3-methylidene-2-pent-4-enoxyisoindol-1-one

C14H15NO2 — CID 123151473

IUPAC3-methylidene-2-pent-4-enoxyisoindol-1-one
SMILESC=CCCCON1C(=C)c2ccccc2C1=O
InChIInChI=1S/C14H15NO2/c1-3-4-7-10-17-15-11(2)12-8-5-6-9-13(12)14(15)16/h3,5-6,8-9H,1-2,4,7,10H2
InChIKeyZSJVNWMAJWGGFQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.01
Rot. Bonds5

About 3-methylidene-2-pent-4-enoxyisoindol-1-one

3-methylidene-2-pent-4-enoxyisoindol-1-one (PubChem CID 123151473) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-methylidene-2-pent-4-enoxyisoindol-1-one.

Molecular Properties

Compound Name3-methylidene-2-pent-4-enoxyisoindol-1-one
PubChem CID123151473
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-methylidene-2-pent-4-enoxyisoindol-1-one
SMILESC=CCCCON1C(=C)c2ccccc2C1=O
InChIInChI=1S/C14H15NO2/c1-3-4-7-10-17-15-11(2)12-8-5-6-9-13(12)14(15)16/h3,5-6,8-9H,1-2,4,7,10H2
InChIKeyZSJVNWMAJWGGFQ-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hept-6-enoxyisoindole-1,3-dione
CID 162768811
2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate
CID 130304736
2-undeca-1,10-dien-6-ylisoindole-1,3-dione
CID 11323980
2-pentadec-14-enylisoindole-1,3-dione
CID 140882474
3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium
CID 155683089
2-non-8-enoxy-2-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-yne
CID 167299439
2-(4-oxopentoxy)isoindole-1,3-dione
CID 46910149
2-[2-(chloromethoxy)ethoxy]isoindole-1,3-dione
CID 86101763
2-(1-phenylbut-3-enoxy)isoindole-1,3-dione
CID 23251030
2-[3-(propylamino)propoxy]isoindole-1,3-dione
CID 59259670
methane;2-[3-(3-methoxypropylamino)propoxy]isoindole-1,3-dione
CID 159790407
2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione
CID 76853033

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-pent-4-enoxyisoindol-1-one?
The IUPAC name of 3-methylidene-2-pent-4-enoxyisoindol-1-one (CID 123151473) is 3-methylidene-2-pent-4-enoxyisoindol-1-one.
What is the SMILES notation for 3-methylidene-2-pent-4-enoxyisoindol-1-one?
The canonical SMILES for 3-methylidene-2-pent-4-enoxyisoindol-1-one is C=CCCCON1C(=C)c2ccccc2C1=O.
What is the InChIKey of 3-methylidene-2-pent-4-enoxyisoindol-1-one?
The InChIKey is ZSJVNWMAJWGGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-4-7-10-17-15-11(2)12-8-5-6-9-13(12)14(15)16/h3,5-6,8-9H,1-2,4,7,10H2.
What are the key properties of 3-methylidene-2-pent-4-enoxyisoindol-1-one?
3-methylidene-2-pent-4-enoxyisoindol-1-one has a molecular weight of 229.28 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-pent-4-enoxyisoindol-1-one is sourced from PubChem (CID 123151473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).