pyrano[3,2-c]isoquinolin-2-one

C12H7NO2 — CID 44521863

IUPACpyrano[3,2-c]isoquinolin-2-one
SMILESO=c1ccc2ncc3ccccc3c2o1
InChIInChI=1S/C12H7NO2/c14-11-6-5-10-12(15-11)9-4-2-1-3-8(9)7-13-10/h1-7H
InChIKeyADERHXFEQTUVML-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.34
Rot. Bonds

About pyrano[3,2-c]isoquinolin-2-one

pyrano[3,2-c]isoquinolin-2-one (PubChem CID 44521863) has the molecular formula C12H7NO2 and a molecular weight of 197.19 g/mol. Its IUPAC name is pyrano[3,2-c]isoquinolin-2-one.

Molecular Properties

Compound Namepyrano[3,2-c]isoquinolin-2-one
PubChem CID44521863
Molecular FormulaC12H7NO2
Molecular Weight197.19 g/mol
Exact Mass197.05
IUPAC Namepyrano[3,2-c]isoquinolin-2-one
SMILESO=c1ccc2ncc3ccccc3c2o1
InChIInChI=1S/C12H7NO2/c14-11-6-5-10-12(15-11)9-4-2-1-3-8(9)7-13-10/h1-7H
InChIKeyADERHXFEQTUVML-UHFFFAOYSA-N
XLogP2.34
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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phenanthridine
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benzo[d][1,3,7]benzodioxazonin-6-one
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benzo[g][1,3]benzoxazole-2-carbaldehyde
CID 121009106
16,28,55-triphenyl-18,26,57-trioxa-12,32,51-triazatridecacyclo[20.20.16.210,13.214,17.227,30.231,34.249,52.253,56.13,41.120,24.04,9.035,40.043,48]doheptaconta-1(42),2,4,6,8,10,12,14,16,20,22,24(68),27,29,31,33,35,37,39,41(63),43,45,47,49,51,53,55,59,61,64,66,69,71-tritriacontaene-19,25,58-trione
CID 140904670
2-methylphenanthridine
CID 14384826
2-oxobenzo[h]chromene-4-carbaldehyde
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1,2-difluorophenanthridine
CID 175109006
chromen-2-one;quinoxaline
CID 174951370
2-nitrophenanthridine
CID 15065495
2-(2-chloroethyl)benzo[g][1,3]benzoxazole
CID 14072483

Frequently Asked Questions

What is the IUPAC name of pyrano[3,2-c]isoquinolin-2-one?
The IUPAC name of pyrano[3,2-c]isoquinolin-2-one (CID 44521863) is pyrano[3,2-c]isoquinolin-2-one.
What is the SMILES notation for pyrano[3,2-c]isoquinolin-2-one?
The canonical SMILES for pyrano[3,2-c]isoquinolin-2-one is O=c1ccc2ncc3ccccc3c2o1.
What is the InChIKey of pyrano[3,2-c]isoquinolin-2-one?
The InChIKey is ADERHXFEQTUVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2/c14-11-6-5-10-12(15-11)9-4-2-1-3-8(9)7-13-10/h1-7H.
What are the key properties of pyrano[3,2-c]isoquinolin-2-one?
pyrano[3,2-c]isoquinolin-2-one has a molecular weight of 197.19 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrano[3,2-c]isoquinolin-2-one is sourced from PubChem (CID 44521863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).