hydron;isoquinoline-1-carbaldehyde

C10H8NO+ — CID 174514236

IUPAChydron;isoquinoline-1-carbaldehyde
SMILESO=Cc1nccc2ccccc12.[H+]
InChIInChI=1S/C10H7NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-7H/p+1
InChIKeyHORFVOWTVOJVAN-UHFFFAOYSA-O
MW158.18 g/mol
LogP2.16
Rot. Bonds1

About hydron;isoquinoline-1-carbaldehyde

hydron;isoquinoline-1-carbaldehyde (PubChem CID 174514236) has the molecular formula C10H8NO+ and a molecular weight of 158.18 g/mol. Its IUPAC name is hydron;isoquinoline-1-carbaldehyde.

Molecular Properties

Compound Namehydron;isoquinoline-1-carbaldehyde
PubChem CID174514236
Molecular FormulaC10H8NO+
Molecular Weight158.18 g/mol
Exact Mass158.06
IUPAC Namehydron;isoquinoline-1-carbaldehyde
SMILESO=Cc1nccc2ccccc12.[H+]
InChIInChI=1S/C10H7NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-7H/p+1
InChIKeyHORFVOWTVOJVAN-UHFFFAOYSA-O
XLogP2.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 58652174
CID 58652174
(1E,4E)-1,5-di(isoquinolin-1-yl)penta-1,4-dien-3-one
CID 56955751
3-isoquinolin-1-yl-1,2,4-oxadiazole-5-carbaldehyde
CID 63949892
4-naphthalen-1-ylisoquinoline-1-carbaldehyde
CID 174968926
formic acid;1-methylisoquinoline
CID 175196109
2-isoquinolin-1-yloxyacetaldehyde
CID 45091417
3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde
CID 23245667
ethyl 4-isoquinolin-1-ylbut-3-enoate
CID 170796327
2-methyl-1,6-naphthyridine-5-carbaldehyde
CID 166034995
3-isoquinolin-1-ylsulfanylpropanal
CID 165440545
9-ethylpyrido[3,4-b]indole-1-carbaldehyde
CID 141373637
1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline
CID 175236001

Frequently Asked Questions

What is the IUPAC name of hydron;isoquinoline-1-carbaldehyde?
The IUPAC name of hydron;isoquinoline-1-carbaldehyde (CID 174514236) is hydron;isoquinoline-1-carbaldehyde.
What is the SMILES notation for hydron;isoquinoline-1-carbaldehyde?
The canonical SMILES for hydron;isoquinoline-1-carbaldehyde is O=Cc1nccc2ccccc12.[H+].
What is the InChIKey of hydron;isoquinoline-1-carbaldehyde?
The InChIKey is HORFVOWTVOJVAN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H7NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-7H/p+1.
What are the key properties of hydron;isoquinoline-1-carbaldehyde?
hydron;isoquinoline-1-carbaldehyde has a molecular weight of 158.18 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;isoquinoline-1-carbaldehyde is sourced from PubChem (CID 174514236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).