2-undeca-1,10-dien-6-ylisoindole-1,3-dione

C19H23NO2 — CID 11323980

IUPAC2-undeca-1,10-dien-6-ylisoindole-1,3-dione
SMILESC=CCCCC(CCCC=C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H23NO2/c1-3-5-7-11-15(12-8-6-4-2)20-18(21)16-13-9-10-14-17(16)19(20)22/h3-4,9-10,13-15H,1-2,5-8,11-12H2
InChIKeyLDNHKCUMSBWLHU-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.36
Rot. Bonds9

About 2-undeca-1,10-dien-6-ylisoindole-1,3-dione

2-undeca-1,10-dien-6-ylisoindole-1,3-dione (PubChem CID 11323980) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-undeca-1,10-dien-6-ylisoindole-1,3-dione.

Molecular Properties

Compound Name2-undeca-1,10-dien-6-ylisoindole-1,3-dione
PubChem CID11323980
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-undeca-1,10-dien-6-ylisoindole-1,3-dione
SMILESC=CCCCC(CCCC=C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H23NO2/c1-3-5-7-11-15(12-8-6-4-2)20-18(21)16-13-9-10-14-17(16)19(20)22/h3-4,9-10,13-15H,1-2,5-8,11-12H2
InChIKeyLDNHKCUMSBWLHU-UHFFFAOYSA-N
XLogP4.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.36
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione
CID 11071459
2-[(2S,4S)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione
CID 10962441
2-pentadec-14-enylisoindole-1,3-dione
CID 140882474
2-[(3R)-octan-3-yl]isoindole-1,3-dione
CID 102066617
2-(1-bromoprop-2-enyl)isoindole-1,3-dione
CID 66693007
18-nona-1,8-dien-5-yl-7-oxa-18-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 132540214
3-methylidene-2-pent-4-enoxyisoindol-1-one
CID 123151473
2-(1-aminohexan-2-yl)isoindole-1,3-dione
CID 80703930
2-[3-(1,3-dioxoisoindol-2-yl)-6-phenylhexyl]isoindole-1,3-dione
CID 122231020
2-hept-6-enoxyisoindole-1,3-dione
CID 162768811
2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide
CID 151805850
2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione
CID 15354128

Frequently Asked Questions

What is the IUPAC name of 2-undeca-1,10-dien-6-ylisoindole-1,3-dione?
The IUPAC name of 2-undeca-1,10-dien-6-ylisoindole-1,3-dione (CID 11323980) is 2-undeca-1,10-dien-6-ylisoindole-1,3-dione.
What is the SMILES notation for 2-undeca-1,10-dien-6-ylisoindole-1,3-dione?
The canonical SMILES for 2-undeca-1,10-dien-6-ylisoindole-1,3-dione is C=CCCCC(CCCC=C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-undeca-1,10-dien-6-ylisoindole-1,3-dione?
The InChIKey is LDNHKCUMSBWLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-5-7-11-15(12-8-6-4-2)20-18(21)16-13-9-10-14-17(16)19(20)22/h3-4,9-10,13-15H,1-2,5-8,11-12H2.
What are the key properties of 2-undeca-1,10-dien-6-ylisoindole-1,3-dione?
2-undeca-1,10-dien-6-ylisoindole-1,3-dione has a molecular weight of 297.40 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undeca-1,10-dien-6-ylisoindole-1,3-dione is sourced from PubChem (CID 11323980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).