6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde

C12H15NO — CID 82111778

IUPAC6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
SMILESCC1Cc2cc(C=O)cnc2CC1C
InChIInChI=1S/C12H15NO/c1-8-3-11-5-10(7-14)6-13-12(11)4-9(8)2/h5-9H,3-4H2,1-2H3
InChIKeyQONAOAXMFWIRSA-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.26
Rot. Bonds1

About 6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde

6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde (PubChem CID 82111778) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
PubChem CID82111778
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
SMILESCC1Cc2cc(C=O)cnc2CC1C
InChIInChI=1S/C12H15NO/c1-8-3-11-5-10(7-14)6-13-12(11)4-9(8)2/h5-9H,3-4H2,1-2H3
InChIKeyQONAOAXMFWIRSA-UHFFFAOYSA-N
XLogP2.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.26
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 6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
The IUPAC name of 6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde (CID 82111778) is 6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde.
What is the SMILES notation for 6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
The canonical SMILES for 6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde is CC1Cc2cc(C=O)cnc2CC1C.
What is the InChIKey of 6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
The InChIKey is QONAOAXMFWIRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-3-11-5-10(7-14)6-13-12(11)4-9(8)2/h5-9H,3-4H2,1-2H3.
What are the key properties of 6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde has a molecular weight of 189.26 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbaldehyde is sourced from PubChem (CID 82111778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).