(3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one

C10H10N2O — CID 143664951

IUPAC(3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one
SMILESN/C=C1\Cc2ccccc2NC1=O
InChIInChI=1S/C10H10N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,6H,5,11H2,(H,12,13)/b8-6+
InChIKeyIMHDMZDAJYEVPY-SOFGYWHQSA-N
MW174.20 g/mol
LogP1.02
Rot. Bonds

About (3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one

(3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one (PubChem CID 143664951) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one
PubChem CID143664951
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one
SMILESN/C=C1\Cc2ccccc2NC1=O
InChIInChI=1S/C10H10N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,6H,5,11H2,(H,12,13)/b8-6+
InChIKeyIMHDMZDAJYEVPY-SOFGYWHQSA-N
XLogP1.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one?
The IUPAC name of (3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one (CID 143664951) is (3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one.
What is the SMILES notation for (3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one?
The canonical SMILES for (3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one is N/C=C1\Cc2ccccc2NC1=O.
What is the InChIKey of (3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one?
The InChIKey is IMHDMZDAJYEVPY-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H10N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,6H,5,11H2,(H,12,13)/b8-6+.
What are the key properties of (3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one?
(3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one has a molecular weight of 174.20 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 143664951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).