2-(1-methylcyclopropyl)isoquinolin-1-one

C13H13NO — CID 154466970

IUPAC2-(1-methylcyclopropyl)isoquinolin-1-one
SMILESCC1(n2ccc3ccccc3c2=O)CC1
InChIInChI=1S/C13H13NO/c1-13(7-8-13)14-9-6-10-4-2-3-5-11(10)12(14)15/h2-6,9H,7-8H2,1H3
InChIKeySMCOWQGAQSPAEU-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.51
Rot. Bonds1

About 2-(1-methylcyclopropyl)isoquinolin-1-one

2-(1-methylcyclopropyl)isoquinolin-1-one (PubChem CID 154466970) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)isoquinolin-1-one.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)isoquinolin-1-one
PubChem CID154466970
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-(1-methylcyclopropyl)isoquinolin-1-one
SMILESCC1(n2ccc3ccccc3c2=O)CC1
InChIInChI=1S/C13H13NO/c1-13(7-8-13)14-9-6-10-4-2-3-5-11(10)12(14)15/h2-6,9H,7-8H2,1H3
InChIKeySMCOWQGAQSPAEU-UHFFFAOYSA-N
XLogP2.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-azabicyclo[2.2.2]octan-4-yl)isoquinolin-1-one
CID 54464177
2-[(2S)-2-aminopropyl]isoquinolin-1-one
CID 103934884
3-methyl-2-(1-oxoisoquinolin-2-yl)butanoic acid
CID 82151708
ethane;2-(4-methylphenyl)isoquinolin-1-one
CID 91168676
2-(1-oxoisoquinolin-2-yl)propanenitrile
CID 13210714
2-pyrimidin-2-ylisoquinolin-1-one
CID 132933193
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]isoquinolin-1-one
CID 15656870
4-(1-oxoisoquinolin-2-yl)benzaldehyde
CID 123457542
2-(2-aminobutyl)isoquinolin-1-one
CID 79015270
2-(2-fluorophenyl)isoquinolin-1-one
CID 156767653
3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one
CID 114101614
2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]isoquinolin-1-one
CID 163685112

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopropyl)isoquinolin-1-one?
The IUPAC name of 2-(1-methylcyclopropyl)isoquinolin-1-one (CID 154466970) is 2-(1-methylcyclopropyl)isoquinolin-1-one.
What is the SMILES notation for 2-(1-methylcyclopropyl)isoquinolin-1-one?
The canonical SMILES for 2-(1-methylcyclopropyl)isoquinolin-1-one is CC1(n2ccc3ccccc3c2=O)CC1.
What is the InChIKey of 2-(1-methylcyclopropyl)isoquinolin-1-one?
The InChIKey is SMCOWQGAQSPAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-13(7-8-13)14-9-6-10-4-2-3-5-11(10)12(14)15/h2-6,9H,7-8H2,1H3.
What are the key properties of 2-(1-methylcyclopropyl)isoquinolin-1-one?
2-(1-methylcyclopropyl)isoquinolin-1-one has a molecular weight of 199.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)isoquinolin-1-one is sourced from PubChem (CID 154466970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).