6-cyclopropyl-2H-isoquinolin-1-one

C12H11NO — CID 90054240

IUPAC6-cyclopropyl-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2cc(C3CC3)ccc12
InChIInChI=1S/C12H11NO/c14-12-11-4-3-9(8-1-2-8)7-10(11)5-6-13-12/h3-8H,1-2H2,(H,13,14)
InChIKeyWPKAXJJTPFRUFL-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.41
Rot. Bonds1

About 6-cyclopropyl-2H-isoquinolin-1-one

6-cyclopropyl-2H-isoquinolin-1-one (PubChem CID 90054240) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 6-cyclopropyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-cyclopropyl-2H-isoquinolin-1-one
PubChem CID90054240
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name6-cyclopropyl-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2cc(C3CC3)ccc12
InChIInChI=1S/C12H11NO/c14-12-11-4-3-9(8-1-2-8)7-10(11)5-6-13-12/h3-8H,1-2H2,(H,13,14)
InChIKeyWPKAXJJTPFRUFL-UHFFFAOYSA-N
XLogP2.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2H-isoquinolin-1-one?
The IUPAC name of 6-cyclopropyl-2H-isoquinolin-1-one (CID 90054240) is 6-cyclopropyl-2H-isoquinolin-1-one.
What is the SMILES notation for 6-cyclopropyl-2H-isoquinolin-1-one?
The canonical SMILES for 6-cyclopropyl-2H-isoquinolin-1-one is O=c1[nH]ccc2cc(C3CC3)ccc12.
What is the InChIKey of 6-cyclopropyl-2H-isoquinolin-1-one?
The InChIKey is WPKAXJJTPFRUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-12-11-4-3-9(8-1-2-8)7-10(11)5-6-13-12/h3-8H,1-2H2,(H,13,14).
What are the key properties of 6-cyclopropyl-2H-isoquinolin-1-one?
6-cyclopropyl-2H-isoquinolin-1-one has a molecular weight of 185.23 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2H-isoquinolin-1-one is sourced from PubChem (CID 90054240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).