[4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate

C16H24N2O3 — CID 123453154

IUPAC[4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate
SMILES[H]/N=C1CCCC=C/C=C\1CN1CCOCC1COC(C)=O
InChIInChI=1S/C16H24N2O3/c1-13(19)21-12-15-11-20-9-8-18(15)10-14-6-4-2-3-5-7-16(14)17/h2,4,6,15,17H,3,5,7-12H2,1H3/b4-2?,14-6-,17-16+
InChIKeyLUHVGSNZBWWIOK-UNPQUAQSSA-N
MW292.38 g/mol
LogP1.94
Rot. Bonds4

About [4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate

[4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate (PubChem CID 123453154) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate.

Molecular Properties

Compound Name[4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate
PubChem CID123453154
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate
SMILES[H]/N=C1CCCC=C/C=C\1CN1CCOCC1COC(C)=O
InChIInChI=1S/C16H24N2O3/c1-13(19)21-12-15-11-20-9-8-18(15)10-14-6-4-2-3-5-7-16(14)17/h2,4,6,15,17H,3,5,7-12H2,1H3/b4-2?,14-6-,17-16+
InChIKeyLUHVGSNZBWWIOK-UNPQUAQSSA-N
XLogP1.94
TPSA62.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate?
The IUPAC name of [4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate (CID 123453154) is [4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate.
What is the SMILES notation for [4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate?
The canonical SMILES for [4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate is [H]/N=C1CCCC=C/C=C\1CN1CCOCC1COC(C)=O.
What is the InChIKey of [4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate?
The InChIKey is LUHVGSNZBWWIOK-UNPQUAQSSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(19)21-12-15-11-20-9-8-18(15)10-14-6-4-2-3-5-7-16(14)17/h2,4,6,15,17H,3,5,7-12H2,1H3/b4-2?,14-6-,17-16+.
What are the key properties of [4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate?
[4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate has a molecular weight of 292.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate is sourced from PubChem (CID 123453154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).