3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one

C15H17NO2 — CID 131719644

IUPAC3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one
SMILESC=CCOc1ccc(C)c2c1=CC(C)(C)C(=O)N=2
InChIInChI=1S/C15H17NO2/c1-5-8-18-12-7-6-10(2)13-11(12)9-15(3,4)14(17)16-13/h5-7,9H,1,8H2,2-4H3
InChIKeyZVWIEPIDEDJSDW-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.53
Rot. Bonds3

About 3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one

3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one (PubChem CID 131719644) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one.

Molecular Properties

Compound Name3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one
PubChem CID131719644
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one
SMILESC=CCOc1ccc(C)c2c1=CC(C)(C)C(=O)N=2
InChIInChI=1S/C15H17NO2/c1-5-8-18-12-7-6-10(2)13-11(12)9-15(3,4)14(17)16-13/h5-7,9H,1,8H2,2-4H3
InChIKeyZVWIEPIDEDJSDW-UHFFFAOYSA-N
XLogP1.53
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide
CID 10083125
N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide
CID 10083126
4-Methoxy-7,8-dimethylpyrano[4,3-b]pyridin-2-one
CID 101415046

Frequently Asked Questions

What is the IUPAC name of 3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one?
The IUPAC name of 3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one (CID 131719644) is 3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one.
What is the SMILES notation for 3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one?
The canonical SMILES for 3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one is C=CCOc1ccc(C)c2c1=CC(C)(C)C(=O)N=2.
What is the InChIKey of 3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one?
The InChIKey is ZVWIEPIDEDJSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-5-8-18-12-7-6-10(2)13-11(12)9-15(3,4)14(17)16-13/h5-7,9H,1,8H2,2-4H3.
What are the key properties of 3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one?
3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8-trimethyl-5-prop-2-enoxyquinolin-2-one is sourced from PubChem (CID 131719644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).