2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one

C11H13NO — CID 171506764

IUPAC2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one
SMILESCN1CCC2=CC3CC3C=C2C1=O
InChIInChI=1S/C11H13NO/c1-12-3-2-7-4-8-5-9(8)6-10(7)11(12)13/h4,6,8-9H,2-3,5H2,1H3
InChIKeyIVNFUTXBSKEEPX-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.35
Rot. Bonds

About 2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one

2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one (PubChem CID 171506764) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one.

Molecular Properties

Compound Name2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one
PubChem CID171506764
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one
SMILESCN1CCC2=CC3CC3C=C2C1=O
InChIInChI=1S/C11H13NO/c1-12-3-2-7-4-8-5-9(8)6-10(7)11(12)13/h4,6,8-9H,2-3,5H2,1H3
InChIKeyIVNFUTXBSKEEPX-UHFFFAOYSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione
CID 22011266
ethane;2-methyl-3,4-dihydroisoquinolin-1-one
CID 91447303
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1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane
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1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine
CID 160619641
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one?
The IUPAC name of 2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one (CID 171506764) is 2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one.
What is the SMILES notation for 2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one?
The canonical SMILES for 2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one is CN1CCC2=CC3CC3C=C2C1=O.
What is the InChIKey of 2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one?
The InChIKey is IVNFUTXBSKEEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-12-3-2-7-4-8-5-9(8)6-10(7)11(12)13/h4,6,8-9H,2-3,5H2,1H3.
What are the key properties of 2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one?
2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one has a molecular weight of 175.23 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one is sourced from PubChem (CID 171506764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).