2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde

C12H13NO — CID 174523984

IUPAC2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde
SMILESCc1cc2c(nc1C)=CCCC=2C=O
InChIInChI=1S/C12H13NO/c1-8-6-11-10(7-14)4-3-5-12(11)13-9(8)2/h5-7H,3-4H2,1-2H3
InChIKeyTTYPZOANUUVMTH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.62
Rot. Bonds1

About 2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde

2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde (PubChem CID 174523984) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde.

Molecular Properties

Compound Name2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde
PubChem CID174523984
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde
SMILESCc1cc2c(nc1C)=CCCC=2C=O
InChIInChI=1S/C12H13NO/c1-8-6-11-10(7-14)4-3-5-12(11)13-9(8)2/h5-7H,3-4H2,1-2H3
InChIKeyTTYPZOANUUVMTH-UHFFFAOYSA-N
XLogP0.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde?
The IUPAC name of 2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde (CID 174523984) is 2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde.
What is the SMILES notation for 2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde?
The canonical SMILES for 2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde is Cc1cc2c(nc1C)=CCCC=2C=O.
What is the InChIKey of 2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde?
The InChIKey is TTYPZOANUUVMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-6-11-10(7-14)4-3-5-12(11)13-9(8)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde?
2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde has a molecular weight of 187.24 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6,7-dihydroquinoline-5-carbaldehyde is sourced from PubChem (CID 174523984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).