(8E)-16-iminocyclohexadec-8-en-1-one

C16H27NO — CID 145054293

IUPAC(8E)-16-iminocyclohexadec-8-en-1-one
SMILES[H]/N=C1/CCCCCC/C=C/CCCCCCC1=O
InChIInChI=1S/C16H27NO/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)18/h1-2,17H,3-14H2/b2-1+,17-15-
InChIKeyRADZPLCSGQWWSY-YSCOKCGRSA-N
MW249.40 g/mol
LogP4.83
Rot. Bonds

About (8E)-16-iminocyclohexadec-8-en-1-one

(8E)-16-iminocyclohexadec-8-en-1-one (PubChem CID 145054293) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (8E)-16-iminocyclohexadec-8-en-1-one.

Molecular Properties

Compound Name(8E)-16-iminocyclohexadec-8-en-1-one
PubChem CID145054293
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(8E)-16-iminocyclohexadec-8-en-1-one
SMILES[H]/N=C1/CCCCCC/C=C/CCCCCCC1=O
InChIInChI=1S/C16H27NO/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)18/h1-2,17H,3-14H2/b2-1+,17-15-
InChIKeyRADZPLCSGQWWSY-YSCOKCGRSA-N
XLogP4.83
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-iminodec-7-en-2-one
CID 88953848
1-(6-Iminocyclohexen-1-yl)propan-2-one
CID 91240495
4-Iminonon-8-en-2-one
CID 123816697
(8E)-16-diazocyclohexadec-8-en-1-one
CID 140893756
(8E)-2-diazocyclohexadec-8-en-1-one
CID 140893757
(8E)-2-iminocyclohexadec-8-en-1-one
CID 145054294
(Z)-2-iminooctadec-9-enethioic S-acid
CID 149747474
(Z)-2-imino-11,11-dimethyldodec-9-en-3-one
CID 163797859
3-Hydroxyiminohenicos-12-en-4-one
CID 173470318
(11Z)-1-iminoicosa-1,11-dien-3-one
CID 20838345
16-Diazocyclohexadec-8-en-1-one
CID 157518814
2-Diazocyclohexadec-8-en-1-one
CID 157518815

Frequently Asked Questions

What is the IUPAC name of (8E)-16-iminocyclohexadec-8-en-1-one?
The IUPAC name of (8E)-16-iminocyclohexadec-8-en-1-one (CID 145054293) is (8E)-16-iminocyclohexadec-8-en-1-one.
What is the SMILES notation for (8E)-16-iminocyclohexadec-8-en-1-one?
The canonical SMILES for (8E)-16-iminocyclohexadec-8-en-1-one is [H]/N=C1/CCCCCC/C=C/CCCCCCC1=O.
What is the InChIKey of (8E)-16-iminocyclohexadec-8-en-1-one?
The InChIKey is RADZPLCSGQWWSY-YSCOKCGRSA-N. The full InChI is InChI=1S/C16H27NO/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)18/h1-2,17H,3-14H2/b2-1+,17-15-.
What are the key properties of (8E)-16-iminocyclohexadec-8-en-1-one?
(8E)-16-iminocyclohexadec-8-en-1-one has a molecular weight of 249.40 g/mol, XLogP of 4.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-16-iminocyclohexadec-8-en-1-one is sourced from PubChem (CID 145054293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).