(7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one

C12H14N2O — CID 11063497

IUPAC(7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one
SMILESCN(C)/C=C1\CCc2cccnc2C1=O
InChIInChI=1S/C12H14N2O/c1-14(2)8-10-6-5-9-4-3-7-13-11(9)12(10)15/h3-4,7-8H,5-6H2,1-2H3/b10-8+
InChIKeyFMFMMVVBDQZSIV-CSKARUKUSA-N
MW202.26 g/mol
LogP1.66
Rot. Bonds1

About (7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one

(7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one (PubChem CID 11063497) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one.

Molecular Properties

Compound Name(7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one
PubChem CID11063497
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one
SMILESCN(C)/C=C1\CCc2cccnc2C1=O
InChIInChI=1S/C12H14N2O/c1-14(2)8-10-6-5-9-4-3-7-13-11(9)12(10)15/h3-4,7-8H,5-6H2,1-2H3/b10-8+
InChIKeyFMFMMVVBDQZSIV-CSKARUKUSA-N
XLogP1.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one?
The IUPAC name of (7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one (CID 11063497) is (7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one.
What is the SMILES notation for (7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one?
The canonical SMILES for (7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one is CN(C)/C=C1\CCc2cccnc2C1=O.
What is the InChIKey of (7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one?
The InChIKey is FMFMMVVBDQZSIV-CSKARUKUSA-N. The full InChI is InChI=1S/C12H14N2O/c1-14(2)8-10-6-5-9-4-3-7-13-11(9)12(10)15/h3-4,7-8H,5-6H2,1-2H3/b10-8+.
What are the key properties of (7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one?
(7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one has a molecular weight of 202.26 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-(dimethylaminomethylidene)-5,6-dihydroquinolin-8-one is sourced from PubChem (CID 11063497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).