1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione

C17H21NO2 — CID 163473490

IUPAC1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione
SMILESC/C=C\C=C/C=C(\C=C\C(C)(C)C)N1C(=O)C=CC1=O
InChIInChI=1S/C17H21NO2/c1-5-6-7-8-9-14(12-13-17(2,3)4)18-15(19)10-11-16(18)20/h5-13H,1-4H3/b6-5-,8-7-,13-12+,14-9+
InChIKeyBYNBHYCKXBKTOT-GPZWIMOZSA-N
MW271.36 g/mol
LogP3.53
Rot. Bonds4

About 1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione

1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione (PubChem CID 163473490) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione
PubChem CID163473490
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione
SMILESC/C=C\C=C/C=C(\C=C\C(C)(C)C)N1C(=O)C=CC1=O
InChIInChI=1S/C17H21NO2/c1-5-6-7-8-9-14(12-13-17(2,3)4)18-15(19)10-11-16(18)20/h5-13H,1-4H3/b6-5-,8-7-,13-12+,14-9+
InChIKeyBYNBHYCKXBKTOT-GPZWIMOZSA-N
XLogP3.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione with MolForge

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Related Compounds

ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]pyrrole-2,5-dione
CID 144507908
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione
CID 143649128
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione;bis(2-methylpropane);1-phenylpyrrole-2,5-dione
CID 145228319
1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione
CID 126635369
tert-butyl (2E,4E)-octa-2,4,6-trienoate
CID 131887303
(5E,7E)-3,3-dimethylnona-1,5,7-trien-4-one
CID 100937637
1-[(2S,4Z,6Z)-3-methylocta-4,6-dien-2-yl]pyrrole-2,5-dione
CID 163843994
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
2-methyldeca-2,4,6,8-tetraene
CID 123313204
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hydroxy-2H-pyrrol-5-one
CID 155313664
furan-2,5-dione;hexa-2,4-diene
CID 175511286
3-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3-oxazetidine-2,4-dione
CID 143407126

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione (CID 163473490) is 1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione is C/C=C\C=C/C=C(\C=C\C(C)(C)C)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione?
The InChIKey is BYNBHYCKXBKTOT-GPZWIMOZSA-N. The full InChI is InChI=1S/C17H21NO2/c1-5-6-7-8-9-14(12-13-17(2,3)4)18-15(19)10-11-16(18)20/h5-13H,1-4H3/b6-5-,8-7-,13-12+,14-9+.
What are the key properties of 1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione?
1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione has a molecular weight of 271.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione is sourced from PubChem (CID 163473490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).