4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one

C13H15NO — CID 134855463

IUPAC4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one
SMILESC=CCN1C(=O)CC(C)c2ccccc21
InChIInChI=1S/C13H15NO/c1-3-8-14-12-7-5-4-6-11(12)10(2)9-13(14)15/h3-7,10H,1,8-9H2,2H3
InChIKeyXWDZNSSVRINXMX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.71
Rot. Bonds2

About 4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one

4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one (PubChem CID 134855463) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one
PubChem CID134855463
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one
SMILESC=CCN1C(=O)CC(C)c2ccccc21
InChIInChI=1S/C13H15NO/c1-3-8-14-12-7-5-4-6-11(12)10(2)9-13(14)15/h3-7,10H,1,8-9H2,2H3
InChIKeyXWDZNSSVRINXMX-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pyroquilon
CID 91665
Hydrocarbostyril
CID 64796
1-(3-(4-Butyl-1-piperidinyl)propyl)-3,4-dihydro-2(1H)-quinolinone
CID 10236758
1-Propionyl-1,2,3,4-tetrahydroquinoline
CID 583808
1-(1,2,3,4-Tetrahydroquinolin-1-yl)ethan-1-one
CID 347850
1-(3-(4-phenylpiperazin-1-yl)propyl)-3,4-dihydroquinolin-2(1H)-one
CID 14925759
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
1,3,3-Trimethyl-2,4(1H,3H)-quinolinedione
CID 99216
6-Amino-1-methyl-1,2,3,4-tetrahydroquinolin-2-one
CID 21877756
1-(2,2,4-trimethyl-3,4-dihydroquinolin-l (2H)-yl)ethanone
CID 2835201
6-amino-3,4-dihydroquinolin-2(1H)-one
CID 4912759
3-Phenyl-1,2,3,4-tetrahydroquinolin-2-one
CID 13836253

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one (CID 134855463) is 4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one is C=CCN1C(=O)CC(C)c2ccccc21.
What is the InChIKey of 4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one?
The InChIKey is XWDZNSSVRINXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-8-14-12-7-5-4-6-11(12)10(2)9-13(14)15/h3-7,10H,1,8-9H2,2H3.
What are the key properties of 4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one?
4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 134855463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).