4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one

C9H11NO — CID 102572692

IUPAC4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCNCC=C1C=CC(=O)C=C1
InChIInChI=1S/C9H11NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-6,10H,7H2,1H3
InChIKeyXYECUCZLQZRODG-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.83
Rot. Bonds2

About 4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one

4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one (PubChem CID 102572692) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one
PubChem CID102572692
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCNCC=C1C=CC(=O)C=C1
InChIInChI=1S/C9H11NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-6,10H,7H2,1H3
InChIKeyXYECUCZLQZRODG-UHFFFAOYSA-N
XLogP0.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one (CID 102572692) is 4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one is CNCC=C1C=CC(=O)C=C1.
What is the InChIKey of 4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is XYECUCZLQZRODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-6,10H,7H2,1H3.
What are the key properties of 4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one?
4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 149.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 102572692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).