2-oxo-1-prop-2-enylquinoline-3-carbaldehyde

C13H11NO2 — CID 14096255

IUPAC2-oxo-1-prop-2-enylquinoline-3-carbaldehyde
SMILESC=CCn1c(=O)c(C=O)cc2ccccc21
InChIInChI=1S/C13H11NO2/c1-2-7-14-12-6-4-3-5-10(12)8-11(9-15)13(14)16/h2-6,8-9H,1,7H2
InChIKeyUUHSDSYFRGRIAK-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.00
Rot. Bonds3

About 2-oxo-1-prop-2-enylquinoline-3-carbaldehyde

2-oxo-1-prop-2-enylquinoline-3-carbaldehyde (PubChem CID 14096255) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-oxo-1-prop-2-enylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-1-prop-2-enylquinoline-3-carbaldehyde
PubChem CID14096255
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-oxo-1-prop-2-enylquinoline-3-carbaldehyde
SMILESC=CCn1c(=O)c(C=O)cc2ccccc21
InChIInChI=1S/C13H11NO2/c1-2-7-14-12-6-4-3-5-10(12)8-11(9-15)13(14)16/h2-6,8-9H,1,7H2
InChIKeyUUHSDSYFRGRIAK-UHFFFAOYSA-N
XLogP2.00
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Crotamiton
CID 2883
N-Ethyl-o-crotonotoluidide
CID 688020
1-Methyl-2-quinolone
CID 11820
N-2-Tolylmaleimide
CID 19989
1,4-Dimethyl-2-quinolone
CID 97252
1-Propionyl-1,2,3,4-tetrahydroquinoline
CID 583808
6-Amino-1,3-dimethyl-1,2-dihydroquinolin-2-one
CID 83636605
2-Hydroxyquinoline-3-carbaldehyde
CID 589334
3-hydroxy-1-methylquinolin-2(1H)-one
CID 15187160
2-Butenamide, N-ethyl-N-(2-methylphenyl)-, (Z)-
CID 6604255
4-methyl-1-(2-propynyl)-2(1H)-quinolinone
CID 1480995
4-Chloro-1-methylquinolin-2(1H)-one
CID 236926

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-prop-2-enylquinoline-3-carbaldehyde?
The IUPAC name of 2-oxo-1-prop-2-enylquinoline-3-carbaldehyde (CID 14096255) is 2-oxo-1-prop-2-enylquinoline-3-carbaldehyde.
What is the SMILES notation for 2-oxo-1-prop-2-enylquinoline-3-carbaldehyde?
The canonical SMILES for 2-oxo-1-prop-2-enylquinoline-3-carbaldehyde is C=CCn1c(=O)c(C=O)cc2ccccc21.
What is the InChIKey of 2-oxo-1-prop-2-enylquinoline-3-carbaldehyde?
The InChIKey is UUHSDSYFRGRIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-2-7-14-12-6-4-3-5-10(12)8-11(9-15)13(14)16/h2-6,8-9H,1,7H2.
What are the key properties of 2-oxo-1-prop-2-enylquinoline-3-carbaldehyde?
2-oxo-1-prop-2-enylquinoline-3-carbaldehyde has a molecular weight of 213.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-prop-2-enylquinoline-3-carbaldehyde is sourced from PubChem (CID 14096255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).