(6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one

C17H26FNO — CID 142816315

IUPAC(6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one
SMILESC=CC=C=C/C(CC(=O)C(CC)CCNCC)=C(\C)F
InChIInChI=1S/C17H26FNO/c1-5-8-9-10-16(14(4)18)13-17(20)15(6-2)11-12-19-7-3/h5,8,10,15,19H,1,6-7,11-13H2,2-4H3/b16-14-
InChIKeyKCEMDCFKMPNVEO-PEZBUJJGSA-N
MW279.40 g/mol
LogP4.11
Rot. Bonds10

About (6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one

(6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one (PubChem CID 142816315) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is (6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one.

Molecular Properties

Compound Name(6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one
PubChem CID142816315
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name(6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one
SMILESC=CC=C=C/C(CC(=O)C(CC)CCNCC)=C(\C)F
InChIInChI=1S/C17H26FNO/c1-5-8-9-10-16(14(4)18)13-17(20)15(6-2)11-12-19-7-3/h5,8,10,15,19H,1,6-7,11-13H2,2-4H3/b16-14-
InChIKeyKCEMDCFKMPNVEO-PEZBUJJGSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-Fluorocyclohepta-1,3,5-trien-1-yl)-piperidin-4-ylmethanone
CID 141942544
(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methyl-1-piperidin-4-ylhexa-2,4-dien-1-one
CID 142137775
[5-Fluoro-4-(3-methylbutyl)cyclohexa-1,5-dien-1-yl]-piperidin-4-ylmethanone
CID 142247449
(3Z,5E)-5-fluoro-2-methylidene-1-piperidin-4-ylhepta-3,5-dien-1-one
CID 143923274
2-(2,3-Difluorocyclohepta-1,3,6-trien-1-yl)-1-piperidin-4-ylethanone
CID 142816297
(8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one
CID 138480380
(4-Methylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone
CID 141833440
(4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one
CID 142767321
(4Z,6Z)-5,7-dimethyl-6-(5-methylpyrrolidin-3-yl)nona-4,6,8-trien-2-one
CID 154930705
(6Z)-3,7-dimethyl-N-(4-oxopentyl)nona-6,8-dienamide
CID 155260155
1-Methylcyclohexa-1,3-diene;1-pyrrolidin-3-ylpropan-1-one
CID 162755703

Frequently Asked Questions

What is the IUPAC name of (6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one?
The IUPAC name of (6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one (CID 142816315) is (6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one.
What is the SMILES notation for (6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one?
The canonical SMILES for (6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one is C=CC=C=C/C(CC(=O)C(CC)CCNCC)=C(\C)F.
What is the InChIKey of (6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one?
The InChIKey is KCEMDCFKMPNVEO-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H26FNO/c1-5-8-9-10-16(14(4)18)13-17(20)15(6-2)11-12-19-7-3/h5,8,10,15,19H,1,6-7,11-13H2,2-4H3/b16-14-.
What are the key properties of (6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one?
(6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one has a molecular weight of 279.40 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3-ethyl-1-(ethylamino)-6-(1-fluoroethylidene)undeca-7,8,10-trien-4-one is sourced from PubChem (CID 142816315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).