2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde

C12H17NO — CID 88953597

IUPAC2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde
SMILESC[C@@H]1CC=CC2=C1CCCN2CC=O
InChIInChI=1S/C12H17NO/c1-10-4-2-6-12-11(10)5-3-7-13(12)8-9-14/h2,6,9-10H,3-5,7-8H2,1H3/t10-/m1/s1
InChIKeyXWCKLEREUODAAL-SNVBAGLBSA-N
MW191.27 g/mol
LogP2.13
Rot. Bonds2

About 2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde

2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde (PubChem CID 88953597) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde
PubChem CID88953597
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde
SMILESC[C@@H]1CC=CC2=C1CCCN2CC=O
InChIInChI=1S/C12H17NO/c1-10-4-2-6-12-11(10)5-3-7-13(12)8-9-14/h2,6,9-10H,3-5,7-8H2,1H3/t10-/m1/s1
InChIKeyXWCKLEREUODAAL-SNVBAGLBSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.13
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-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde?
The IUPAC name of 2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde (CID 88953597) is 2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde?
The canonical SMILES for 2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde is C[C@@H]1CC=CC2=C1CCCN2CC=O.
What is the InChIKey of 2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde?
The InChIKey is XWCKLEREUODAAL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-4-2-6-12-11(10)5-3-7-13(12)8-9-14/h2,6,9-10H,3-5,7-8H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde?
2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde has a molecular weight of 191.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde is sourced from PubChem (CID 88953597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).