(11Z)-1-iminoicosa-1,11-dien-3-one

C20H35NO — CID 20838345

IUPAC(11Z)-1-iminoicosa-1,11-dien-3-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)C=C=N
InChIInChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)18-19-21/h9-10,18,21H,2-8,11-17H2,1H3/b10-9-
InChIKeyLSQDZPWDMNENRT-KTKRTIGZSA-N
MW305.51 g/mol
LogP6.40
Rot. Bonds16

About (11Z)-1-iminoicosa-1,11-dien-3-one

(11Z)-1-iminoicosa-1,11-dien-3-one (PubChem CID 20838345) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is (11Z)-1-iminoicosa-1,11-dien-3-one.

Molecular Properties

Compound Name(11Z)-1-iminoicosa-1,11-dien-3-one
PubChem CID20838345
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name(11Z)-1-iminoicosa-1,11-dien-3-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)C=C=N
InChIInChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)18-19-21/h9-10,18,21H,2-8,11-17H2,1H3/b10-9-
InChIKeyLSQDZPWDMNENRT-KTKRTIGZSA-N
XLogP6.40
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Aminoheneicos-2,12,15-trien-4-one
CID 129726420
2-Aminoheneicos-2,12-dien-4-one
CID 129726454
(8E)-16-iminocyclohexadec-8-en-1-one
CID 145054293
(8E)-2-iminocyclohexadec-8-en-1-one
CID 145054294
1-Iminoicos-1-en-3-one
CID 20975774
1-Iminotetradec-1-en-3-one
CID 23620746
1-Iminohexadec-1-en-3-one
CID 23621437
1-Iminoundec-1-en-3-one
CID 23621438

Frequently Asked Questions

What is the IUPAC name of (11Z)-1-iminoicosa-1,11-dien-3-one?
The IUPAC name of (11Z)-1-iminoicosa-1,11-dien-3-one (CID 20838345) is (11Z)-1-iminoicosa-1,11-dien-3-one.
What is the SMILES notation for (11Z)-1-iminoicosa-1,11-dien-3-one?
The canonical SMILES for (11Z)-1-iminoicosa-1,11-dien-3-one is CCCCCCCC/C=C\CCCCCCCC(=O)C=C=N.
What is the InChIKey of (11Z)-1-iminoicosa-1,11-dien-3-one?
The InChIKey is LSQDZPWDMNENRT-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)18-19-21/h9-10,18,21H,2-8,11-17H2,1H3/b10-9-.
What are the key properties of (11Z)-1-iminoicosa-1,11-dien-3-one?
(11Z)-1-iminoicosa-1,11-dien-3-one has a molecular weight of 305.51 g/mol, XLogP of 6.40, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-1-iminoicosa-1,11-dien-3-one is sourced from PubChem (CID 20838345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).