6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde

C12H15NO2 — CID 170632184

IUPAC6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde
SMILESCC1(C)CCc2[nH]c(=O)c(C=O)cc2C1
InChIInChI=1S/C12H15NO2/c1-12(2)4-3-10-8(6-12)5-9(7-14)11(15)13-10/h5,7H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyDBZYUJONKXLBCG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.70
Rot. Bonds1

About 6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde

6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde (PubChem CID 170632184) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde
PubChem CID170632184
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde
SMILESCC1(C)CCc2[nH]c(=O)c(C=O)cc2C1
InChIInChI=1S/C12H15NO2/c1-12(2)4-3-10-8(6-12)5-9(7-14)11(15)13-10/h5,7H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyDBZYUJONKXLBCG-UHFFFAOYSA-N
XLogP1.70
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde;ethane
CID 170632245
N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167895166
N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 154840880
6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167796117
3-(6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinolin-3-yl)-2-formamidopropanamide
CID 170632176
6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167903422
6,6-dimethyl-2-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 154840869
N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167865040
5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane
CID 144881790
methyl 4-[(3R)-4-(6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbonyl)-3-methylpiperazin-1-yl]benzoate
CID 97024663
2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one
CID 53362162
7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one
CID 53362205

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde?
The IUPAC name of 6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde (CID 170632184) is 6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde.
What is the SMILES notation for 6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde?
The canonical SMILES for 6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde is CC1(C)CCc2[nH]c(=O)c(C=O)cc2C1.
What is the InChIKey of 6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde?
The InChIKey is DBZYUJONKXLBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2)4-3-10-8(6-12)5-9(7-14)11(15)13-10/h5,7H,3-4,6H2,1-2H3,(H,13,15).
What are the key properties of 6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde?
6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde is sourced from PubChem (CID 170632184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).