(E)-1-(azocan-1-yl)dec-3-en-1-one

C17H31NO — CID 71738791

IUPAC(E)-1-(azocan-1-yl)dec-3-en-1-one
SMILESCCCCCC/C=C/CC(=O)N1CCCCCCC1
InChIInChI=1S/C17H31NO/c1-2-3-4-5-6-8-11-14-17(19)18-15-12-9-7-10-13-16-18/h8,11H,2-7,9-10,12-16H2,1H3/b11-8+
InChIKeyHJKIHDAZCYYKET-DHZHZOJOSA-N
MW265.44 g/mol
LogP4.70
Rot. Bonds7

About (E)-1-(azocan-1-yl)dec-3-en-1-one

(E)-1-(azocan-1-yl)dec-3-en-1-one (PubChem CID 71738791) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (E)-1-(azocan-1-yl)dec-3-en-1-one.

Molecular Properties

Compound Name(E)-1-(azocan-1-yl)dec-3-en-1-one
PubChem CID71738791
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(E)-1-(azocan-1-yl)dec-3-en-1-one
SMILESCCCCCC/C=C/CC(=O)N1CCCCCCC1
InChIInChI=1S/C17H31NO/c1-2-3-4-5-6-8-11-14-17(19)18-15-12-9-7-10-13-16-18/h8,11H,2-7,9-10,12-16H2,1H3/b11-8+
InChIKeyHJKIHDAZCYYKET-DHZHZOJOSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one
CID 91705104
1-pyrrolidin-1-ylhexadec-4-en-1-one
CID 163192567
1-pyrrolidin-1-yloctadec-6-en-1-one
CID 574885
(5Z,9Z,17Z)-1-pyrrolidin-1-ylhexacosa-5,9,17-trien-1-one
CID 91705242
(8Z,12Z)-1-pyrrolidin-1-yloctadeca-8,12-dien-1-one
CID 91705036
(7Z,13Z,16Z)-1-pyrrolidin-1-yldocosa-7,13,16-trien-1-one
CID 91705178
1-piperidin-1-ylundeca-3,4-dien-1-one
CID 71320410
1-(azepan-1-yl)dec-2-en-1-one
CID 66769739
(E)-1-(azepan-1-yl)dec-2-en-1-one
CID 46935133
(E)-1-piperidin-1-yltridec-2-en-1-one
CID 102388697
1-(4-octadec-9-enoylpiperazin-1-yl)octadec-9-en-1-one
CID 54491403
1-pyrrolidin-1-ylicosa-2,4,14-trien-1-one
CID 76515599

Frequently Asked Questions

What is the IUPAC name of (E)-1-(azocan-1-yl)dec-3-en-1-one?
The IUPAC name of (E)-1-(azocan-1-yl)dec-3-en-1-one (CID 71738791) is (E)-1-(azocan-1-yl)dec-3-en-1-one.
What is the SMILES notation for (E)-1-(azocan-1-yl)dec-3-en-1-one?
The canonical SMILES for (E)-1-(azocan-1-yl)dec-3-en-1-one is CCCCCC/C=C/CC(=O)N1CCCCCCC1.
What is the InChIKey of (E)-1-(azocan-1-yl)dec-3-en-1-one?
The InChIKey is HJKIHDAZCYYKET-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H31NO/c1-2-3-4-5-6-8-11-14-17(19)18-15-12-9-7-10-13-16-18/h8,11H,2-7,9-10,12-16H2,1H3/b11-8+.
What are the key properties of (E)-1-(azocan-1-yl)dec-3-en-1-one?
(E)-1-(azocan-1-yl)dec-3-en-1-one has a molecular weight of 265.44 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(azocan-1-yl)dec-3-en-1-one is sourced from PubChem (CID 71738791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).