1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one

C10H9NO — CID 82274917

IUPAC1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
SMILESO=C1NC2CC2c2ccccc21
InChIInChI=1S/C10H9NO/c12-10-7-4-2-1-3-6(7)8-5-9(8)11-10/h1-4,8-9H,5H2,(H,11,12)
InChIKeyPIECXUKJIJEKHJ-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.29
Rot. Bonds

About 1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one

1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one (PubChem CID 82274917) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one.

Molecular Properties

Compound Name1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
PubChem CID82274917
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
SMILESO=C1NC2CC2c2ccccc21
InChIInChI=1S/C10H9NO/c12-10-7-4-2-1-3-6(7)8-5-9(8)11-10/h1-4,8-9H,5H2,(H,11,12)
InChIKeyPIECXUKJIJEKHJ-UHFFFAOYSA-N
XLogP1.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one?
The IUPAC name of 1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one (CID 82274917) is 1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one.
What is the SMILES notation for 1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one?
The canonical SMILES for 1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one is O=C1NC2CC2c2ccccc21.
What is the InChIKey of 1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one?
The InChIKey is PIECXUKJIJEKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-7-4-2-1-3-6(7)8-5-9(8)11-10/h1-4,8-9H,5H2,(H,11,12).
What are the key properties of 1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one?
1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one has a molecular weight of 159.19 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one is sourced from PubChem (CID 82274917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).