1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone

C10H11NO — CID 91105970

IUPAC1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone
SMILES[H]/N=C1\C=C/C=C\CC=C1C(C)=O
InChIInChI=1S/C10H11NO/c1-8(12)9-6-4-2-3-5-7-10(9)11/h2-3,5-7,11H,4H2,1H3/b3-2-,7-5-,9-6?,11-10+
InChIKeyZHYOHDGPKVLHSB-QLXJIECISA-N
MW161.20 g/mol
LogP2.04
Rot. Bonds1

About 1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone

1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone (PubChem CID 91105970) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone
PubChem CID91105970
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone
SMILES[H]/N=C1\C=C/C=C\CC=C1C(C)=O
InChIInChI=1S/C10H11NO/c1-8(12)9-6-4-2-3-5-7-10(9)11/h2-3,5-7,11H,4H2,1H3/b3-2-,7-5-,9-6?,11-10+
InChIKeyZHYOHDGPKVLHSB-QLXJIECISA-N
XLogP2.04
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Imino-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 20496336
Acetyl-p-benzoquinone imine
CID 57237125
6-Imino-4-methylcyclohexa-2,4-dien-1-one
CID 101512393
2-Ethyl-benzoquinone imine
CID 132277171
(E)-6-fluoro-4-imino-3-methylideneoct-5-en-2-one
CID 123392429
(4E)-2,4-dimethyl-5-(2,2,2-trifluoroethanimidoyl)hepta-1,4,6-trien-3-one
CID 139425190
1-Imino-1-(3,6,8-trifluorocycloocta-1,5,7-trien-1-yl)propan-2-one
CID 163891911
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
(E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one
CID 155718511
(3E,5E)-3-ethanimidoyl-5-fluorohepta-3,5-dien-2-one
CID 168203342
4-Imino-2,5-dimethylcyclohexa-2,5-dien-1-one
CID 20292609
4-Imino-2,3-dimethylcyclohexa-2,5-dien-1-one
CID 20516822

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone?
The IUPAC name of 1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone (CID 91105970) is 1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone.
What is the SMILES notation for 1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone?
The canonical SMILES for 1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone is [H]/N=C1\C=C/C=C\CC=C1C(C)=O.
What is the InChIKey of 1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone?
The InChIKey is ZHYOHDGPKVLHSB-QLXJIECISA-N. The full InChI is InChI=1S/C10H11NO/c1-8(12)9-6-4-2-3-5-7-10(9)11/h2-3,5-7,11H,4H2,1H3/b3-2-,7-5-,9-6?,11-10+.
What are the key properties of 1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone?
1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone has a molecular weight of 161.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone is sourced from PubChem (CID 91105970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).