(7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one

C20H35NO — CID 5370371

IUPAC(7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one
SMILESCCCCC/C=C/C/C=C/CCCCCC(=O)N1CCCC1
InChIInChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6+,10-9+
InChIKeyZVYZOSDILQDZJD-AVQMFFATSA-N
MW305.51 g/mol
LogP5.64
Rot. Bonds12

About (7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one

(7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one (PubChem CID 5370371) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is (7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one.

Molecular Properties

Compound Name(7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one
PubChem CID5370371
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name(7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one
SMILESCCCCC/C=C/C/C=C/CCCCCC(=O)N1CCCC1
InChIInChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6+,10-9+
InChIKeyZVYZOSDILQDZJD-AVQMFFATSA-N
XLogP5.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.64
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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Frequently Asked Questions

What is the IUPAC name of (7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one?
The IUPAC name of (7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one (CID 5370371) is (7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one.
What is the SMILES notation for (7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one?
The canonical SMILES for (7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one is CCCCC/C=C/C/C=C/CCCCCC(=O)N1CCCC1.
What is the InChIKey of (7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one?
The InChIKey is ZVYZOSDILQDZJD-AVQMFFATSA-N. The full InChI is InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6+,10-9+.
What are the key properties of (7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one?
(7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one has a molecular weight of 305.51 g/mol, XLogP of 5.64, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one is sourced from PubChem (CID 5370371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).