7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde

C13H15NO — CID 163949340

IUPAC7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde
SMILESCC(C)c1ccc2c(c1)N=C(C=O)CC2
InChIInChI=1S/C13H15NO/c1-9(2)11-4-3-10-5-6-12(8-15)14-13(10)7-11/h3-4,7-9H,5-6H2,1-2H3
InChIKeyRXYQLBLQSNFBDS-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.03
Rot. Bonds2

About 7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde

7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde (PubChem CID 163949340) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde.

Molecular Properties

Compound Name7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde
PubChem CID163949340
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde
SMILESCC(C)c1ccc2c(c1)N=C(C=O)CC2
InChIInChI=1S/C13H15NO/c1-9(2)11-4-3-10-5-6-12(8-15)14-13(10)7-11/h3-4,7-9H,5-6H2,1-2H3
InChIKeyRXYQLBLQSNFBDS-UHFFFAOYSA-N
XLogP3.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,6-di(propan-2-yl)-3H-indole-2-carboxamide
CID 158958831
(2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde
CID 101391660
ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole
CID 156752898
2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one
CID 82277850
acetaldehyde;ethane;2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 176703540
ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole
CID 161239828
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole
CID 177061562
4-propan-2-ylbenzaldehyde
CID 326
4-propan-2-ylpyridine-2-carbaldehyde
CID 87453766
1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane
CID 177158483
3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 157156221

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde?
The IUPAC name of 7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde (CID 163949340) is 7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde.
What is the SMILES notation for 7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde?
The canonical SMILES for 7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde is CC(C)c1ccc2c(c1)N=C(C=O)CC2.
What is the InChIKey of 7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde?
The InChIKey is RXYQLBLQSNFBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9(2)11-4-3-10-5-6-12(8-15)14-13(10)7-11/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde?
7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde has a molecular weight of 201.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde is sourced from PubChem (CID 163949340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).