(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid

C10H19NO2 — CID 143297207

IUPAC(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid
SMILESC1CC[C@@H]2CNCCC2C1.O=CO
InChIInChI=1S/C9H17N.CH2O2/c1-2-4-9-7-10-6-5-8(9)3-1;2-1-3/h8-10H,1-7H2;1H,(H,2,3)/t8?,9-;/m1./s1
InChIKeyOVXJEUQZDVUNAF-ICLMXVQUSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds

About (8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid

(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid (PubChem CID 143297207) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid.

Molecular Properties

Compound Name(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid
PubChem CID143297207
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid
SMILESC1CC[C@@H]2CNCCC2C1.O=CO
InChIInChI=1S/C9H17N.CH2O2/c1-2-4-9-7-10-6-5-8(9)3-1;2-1-3/h8-10H,1-7H2;1H,(H,2,3)/t8?,9-;/m1./s1
InChIKeyOVXJEUQZDVUNAF-ICLMXVQUSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane
CID 143297123
bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane
CID 158507793
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
CID 164752917
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;hydrochloride
CID 131638052
3-cyclohexylpyrrolidine;methanethioamide
CID 161183886
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
(3S)-3-cyclohexylpiperidine
CID 7016473
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;azepane;ethane;propane
CID 143167728
3-pyrrolidin-3-ylcyclohexan-1-ol
CID 84731820

Frequently Asked Questions

What is the IUPAC name of (8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid?
The IUPAC name of (8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid (CID 143297207) is (8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid.
What is the SMILES notation for (8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid?
The canonical SMILES for (8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid is C1CC[C@@H]2CNCCC2C1.O=CO.
What is the InChIKey of (8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid?
The InChIKey is OVXJEUQZDVUNAF-ICLMXVQUSA-N. The full InChI is InChI=1S/C9H17N.CH2O2/c1-2-4-9-7-10-6-5-8(9)3-1;2-1-3/h8-10H,1-7H2;1H,(H,2,3)/t8?,9-;/m1./s1.
What are the key properties of (8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid?
(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid has a molecular weight of 185.27 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid is sourced from PubChem (CID 143297207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).