hydron;isoquinoline-4-carbaldehyde

C10H8NO+ — CID 174467251

IUPAChydron;isoquinoline-4-carbaldehyde
SMILESO=Cc1cncc2ccccc12.[H+]
InChIInChI=1S/C10H7NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-7H/p+1
InChIKeyRNQQJLYJLDQGGL-UHFFFAOYSA-O
MW158.18 g/mol
LogP2.16
Rot. Bonds1

About hydron;isoquinoline-4-carbaldehyde

hydron;isoquinoline-4-carbaldehyde (PubChem CID 174467251) has the molecular formula C10H8NO+ and a molecular weight of 158.18 g/mol. Its IUPAC name is hydron;isoquinoline-4-carbaldehyde.

Molecular Properties

Compound Namehydron;isoquinoline-4-carbaldehyde
PubChem CID174467251
Molecular FormulaC10H8NO+
Molecular Weight158.18 g/mol
Exact Mass158.06
IUPAC Namehydron;isoquinoline-4-carbaldehyde
SMILESO=Cc1cncc2ccccc12.[H+]
InChIInChI=1S/C10H7NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-7H/p+1
InChIKeyRNQQJLYJLDQGGL-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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Frequently Asked Questions

What is the IUPAC name of hydron;isoquinoline-4-carbaldehyde?
The IUPAC name of hydron;isoquinoline-4-carbaldehyde (CID 174467251) is hydron;isoquinoline-4-carbaldehyde.
What is the SMILES notation for hydron;isoquinoline-4-carbaldehyde?
The canonical SMILES for hydron;isoquinoline-4-carbaldehyde is O=Cc1cncc2ccccc12.[H+].
What is the InChIKey of hydron;isoquinoline-4-carbaldehyde?
The InChIKey is RNQQJLYJLDQGGL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H7NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-7H/p+1.
What are the key properties of hydron;isoquinoline-4-carbaldehyde?
hydron;isoquinoline-4-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-4-carbaldehyde is sourced from PubChem (CID 174467251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).