3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde

C10H17NO — CID 64992279

IUPAC3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde
SMILESO=CN1CCCC2CCCCC21
InChIInChI=1S/C10H17NO/c12-8-11-7-3-5-9-4-1-2-6-10(9)11/h8-10H,1-7H2
InChIKeyGEKISUNTQZGQPY-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds1

About 3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde

3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde (PubChem CID 64992279) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde.

Molecular Properties

Compound Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde
PubChem CID64992279
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde
SMILESO=CN1CCCC2CCCCC21
InChIInChI=1S/C10H17NO/c12-8-11-7-3-5-9-4-1-2-6-10(9)11/h8-10H,1-7H2
InChIKeyGEKISUNTQZGQPY-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde;benzaldehyde
CID 159316348
2-pyrrolidin-2-ylpyrrolidine-1-carbaldehyde
CID 87510951
methyl 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)prop-2-enoate
CID 79896067
ethane;2-methylpyrrolidine-1-carbaldehyde
CID 177315996
3-cyclopropylmorpholine-4-carbaldehyde
CID 123226910
2-cyclopropylpiperazine-1-carbaldehyde
CID 87187769
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetaldehyde
CID 82749846
2-(trifluoromethyl)pyrrolidine-1-carbaldehyde
CID 87727190
2-tert-butylpyrrolidine-1-carbaldehyde
CID 88935056
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
CID 147803814
CID 147803814
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde?
The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde (CID 64992279) is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde.
What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde?
The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde is O=CN1CCCC2CCCCC21.
What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde?
The InChIKey is GEKISUNTQZGQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-8-11-7-3-5-9-4-1-2-6-10(9)11/h8-10H,1-7H2.
What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde?
3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde has a molecular weight of 167.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde is sourced from PubChem (CID 64992279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).